N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Traditional Name: [1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-veratryl-amine Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

InChI

InChI=1S/C23H30N4O2/c1-28-21-11-10-18(16-22(21)29-2)17-24-23-25-19-8-4-5-9-20(19)27(23)15-14-26-12-6-3-7-13-26/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3,(H,24,25)/p+1