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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-methyl-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]cyclohexanecarboxamide Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C22H32N4O/c1-25-20-12-11-18(23-22(27)17-9-5-4-6-10-17)15-19(20)24-21(25)16-26-13-7-2-3-8-14-26/h11-12,15,17H,2-10,13-14,16H2,1H3,(H,23,27)/p+1