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PQ7

Summary
Name:4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
Formula:C34 H42 N4
Formal charge:2
Formula weight:506.724 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium
OpenEye OEToolkits1.7.6N,N-dimethyl-1-[[4-[4-[4-[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]butyl]phenyl]methyl]pyridin-1-ium-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C([n+]1ccc(cc1)N(C)C)c5ccc(CCCCc4ccc(C[n+]2ccc(cc2)N3CCCC3)cc4)cc5
InChIInChI1.03InChI=1S/C34H42N4/c1-35(2)33-17-23-36(24-18-33)27-31-13-9-29(10-14-31)7-3-4-8-30-11-15-32(16-12-30)28-37-25-19-34(20-26-37)38-21-5-6-22-38/h9-20,23-26H,3-8,21-22,27-28H2,1-2H3/q+2
InChIKeyInChI1.03OXXBKOUHROTSGV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(cc4)N5CCCC5)cc3)cc2)cc1
SMILESCACTVS3.385CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(cc4)N5CCCC5)cc3)cc2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5
SMILESOpenEye OEToolkits1.7.6CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5

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PDB entries from 2026-01-21

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