N-[1-[3-[(2-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]ethyl]butanamide

Systemtic Name: N-[1-[3-[(2-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]ethyl]butanamide Openeye Name: N-[1-[3-(o-tolylmethyl)-1H-benzimidazol-3-ium-2-yl]ethyl]butanamide CAS Name: N-[1-[3-[(2-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]ethyl]butanamide IUPAC Name: N-[1-[3-[(2-methylphenyl)methyl]-1H-benzimidazol-3-ium-2-yl]ethyl]butanamide Traditional Name: N-[1-[3-(2-methylbenzyl)-1H-benzimidazol-3-ium-2-yl]ethyl]butyramide Formula: C21H26N3O+ MolecularWeight: 336.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)C1=[N+](C2=CC=CC=C2N1)CC3=CC=CC=C3C

Isomeric SMILES

CCCC(=O)NC(C)C1=[N+](C2=CC=CC=C2N1)CC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O/c1-4-9-20(25)22-16(3)21-23-18-12-7-8-13-19(18)24(21)14-17-11-6-5-10-15(17)2/h5-8,10-13,16H,4,9,14H2,1-3H3,(H,22,25)/p+1