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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]ethanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]acetamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-ethyl-5-benzimidazolyl]acetamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethylbenzimidazol-5-yl]acetamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]acetamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C)N=C1C[NH+]3CCCCCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C)N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C18H26N4O/c1-3-22-17-9-8-15(19-14(2)23)12-16(17)20-18(22)13-21-10-6-4-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,23)/p+1