N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-4-methoxy-benzamide

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-4-methoxy-benzamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-4-methoxy-benzamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-4-methoxybenzamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-4-methoxybenzamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-4-methoxy-benzamide Formula: C26H35N4O2+ MolecularWeight: 435.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)OC)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C26H34N4O2/c1-3-4-17-30-24-14-11-21(27-26(31)20-9-12-22(32-2)13-10-20)18-23(24)28-25(30)19-29-15-7-5-6-8-16-29/h9-14,18H,3-8,15-17,19H2,1-2H3,(H,27,31)/p+1