N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3-methyl-butanamide

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3-methyl-butanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3-methyl-butanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-3-methylbutanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-3-methylbutanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-3-methyl-butyramide Formula: C23H37N4O+ MolecularWeight: 385.56608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1C[NH+]3CCCCCC3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1C[NH+]3CCCCCC3

InChI

InChI=1S/C23H36N4O/c1-4-5-14-27-21-11-10-19(24-23(28)15-18(2)3)16-20(21)25-22(27)17-26-12-8-6-7-9-13-26/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H,24,28)/p+1