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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]propanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]propanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-methyl-5-benzimidazolyl]propanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methylbenzimidazol-5-yl]propanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-methyl-benzimidazol-5-yl]propionamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCCCCC3)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCCCCC3)C

InChI

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