2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(3,4-dimethoxyphenyl)acetamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C22H26N4O3/c1-28-19-8-7-16(13-20(19)29-2)23-21(27)14-26-11-9-15(10-12-26)22-24-17-5-3-4-6-18(17)25-22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,27)(H,24,25)/p+1