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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]cyclohexanecarboxamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]cyclohexanecarboxamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-ethyl-5-benzimidazolyl]cyclohexanecarboxamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethylbenzimidazol-5-yl]cyclohexanecarboxamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]cyclohexanecarboxamide Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3CCCCC3)N=C1C[NH+]4CCCCCC4

InChI

InChI=1S/C23H34N4O/c1-2-27-21-13-12-19(24-23(28)18-10-6-5-7-11-18)16-20(21)25-22(27)17-26-14-8-3-4-9-15-26/h12-13,16,18H,2-11,14-15,17H2,1H3,(H,24,28)/p+1