N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C23H30N4OS/c1-2-3-14-27-20-11-10-18(24-23(28)21-9-8-15-29-21)16-19(20)25-22(27)17-26-12-6-4-5-7-13-26/h8-11,15-16H,2-7,12-14,17H2,1H3,(H,24,28)/p+1