butyl 2-[2-azanyl-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: butyl 2-[2-azanyl-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanoate Openeye Name: butyl 2-[2-amino-3-(o-tolylmethyl)benzimidazol-3-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[(2-methylphenyl)methyl]-1-benzimidazol-3-iumyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-amino-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-methylbenzyl)benzimidazol-3-ium-1-yl]acetic acid butyl ester Formula: C21H26N3O2+ MolecularWeight: 352.45004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)CC3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O2/c1-3-4-13-26-20(25)15-24-19-12-8-7-11-18(19)23(21(24)22)14-17-10-6-5-9-16(17)2/h5-12,22H,3-4,13-15H2,1-2H3/p+1