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Summary Geometry Related PDB entries

GZD

Summary

Name:	N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium
Formula:	C19 H37 N2
Formal charge:	1
Formula weight:	293.51 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N,N-trimethyl-5-({[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)pentan-1-aminium
OpenEye OEToolkits	2.0.6	5-(1-adamantylmethylamino)pentyl-trimethyl-azanium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C[N+](CCCCCNCC13CC2CC(C1)CC(C2)C3)(C)C
InChI	InChI	1.03	InChI=1S/C19H37N2/c1-21(2,3)8-6-4-5-7-20-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18,20H,4-15H2,1-3H3/q+1/t16-,17+,18-,19-
InChIKey	InChI	1.03	IWYZMMIPAJDJBN-WAAHFUDESA-N
SMILES_CANONICAL	CACTVS	3.385	C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2
SMILES	CACTVS	3.385	C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2
SMILES	OpenEye OEToolkits	2.0.6	C[N+](C)(C)CCCCCNCC12CC3CC(C1)CC(C3)C2

222624

数据于2024-07-17公开中

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