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

Systemtic Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-propanamide Openeye Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-propanamide CAS Name: N-[2-(1-azepan-1-iumylmethyl)-1-butyl-5-benzimidazolyl]-2-methylpropanamide IUPAC Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butylbenzimidazol-5-yl]-2-methylpropanamide Traditional Name: N-[2-(azepan-1-ium-1-ylmethyl)-1-butyl-benzimidazol-5-yl]-2-methyl-propionamide Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O/c1-4-5-14-26-20-11-10-18(23-22(27)17(2)3)15-19(20)24-21(26)16-25-12-8-6-7-9-13-25/h10-11,15,17H,4-9,12-14,16H2,1-3H3,(H,23,27)/p+1