Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

O14

Summary
Name:(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide
Formula:C14 H20 N4 O
Formal charge:0
Formula weight:260.335 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.024-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide
OpenEye OEToolkits1.6.14-[(E)-(1-methylpiperidin-4-yl)oxyiminomethyl]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02N(/OC1CCN(C)CC1)=C\c2ccc(C(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.352CN1CCC(CC1)O\N=C\c2ccc(cc2)C(N)=N
SMILESCACTVS3.352CN1CCC(CC1)ON=Cc2ccc(cc2)C(N)=N
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N
SMILESOpenEye OEToolkits1.7.0CN1CCC(CC1)ON=Cc2ccc(cc2)C(=N)N
InChIInChI1.03InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+
InChIKeyInChI1.03FNLKRNACHKABQI-LICLKQGHSA-N

227344

数据于2024-11-13公开中

PDB statisticsPDBj update infoContact PDBjnumon