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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-benzamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-benzamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-methylbenzamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-methylbenzamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-benzamide Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C26H34N4O/c1-3-4-17-30-24-14-13-21(27-26(31)22-12-8-7-11-20(22)2)18-23(24)28-25(30)19-29-15-9-5-6-10-16-29/h7-8,11-14,18H,3-6,9-10,15-17,19H2,1-2H3,(H,27,31)/p+1