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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolamine IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-amine Traditional Name: (3,4-diethoxybenzyl)-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]amine Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OCC

InChI

InChI=1S/C25H34N4O2/c1-3-30-23-13-12-20(18-24(23)31-4-2)19-26-25-27-21-10-6-7-11-22(21)29(25)17-16-28-14-8-5-9-15-28/h6-7,10-13,18H,3-5,8-9,14-17,19H2,1-2H3,(H,26,27)/p+1