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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]propanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]propanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]propanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]propanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]propionamide Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-3-5-14-25-19-11-10-17(22-21(26)4-2)15-18(19)23-20(25)16-24-12-8-6-7-9-13-24/h10-11,15H,3-9,12-14,16H2,1-2H3,(H,22,26)/p+1