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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]propanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]propanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-ethyl-5-benzimidazolyl]propanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethylbenzimidazol-5-yl]propanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-ethyl-benzimidazol-5-yl]propionamide Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-3-19(24)20-15-9-10-17-16(13-15)21-18(23(17)4-2)14-22-11-7-5-6-8-12-22/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,20,24)/p+1