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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O/c1-3-5-15-26-20-12-11-18(23-22(27)10-4-2)16-19(20)24-21(26)17-25-13-8-6-7-9-14-25/h11-12,16H,3-10,13-15,17H2,1-2H3,(H,23,27)/p+1