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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]cyclohexanecarboxamide Formula: C25H39N4O+ MolecularWeight: 411.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C25H38N4O/c1-2-3-17-29-23-14-13-21(26-25(30)20-11-7-6-8-12-20)18-22(23)27-24(29)19-28-15-9-4-5-10-16-28/h13-14,18,20H,2-12,15-17,19H2,1H3,(H,26,30)/p+1