ethyl 2-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-methyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]ethanoate Openeye Name: ethyl 2-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)acetate CAS Name: 2-[2-methyl-3-(phenylmethyl)-1-benzimidazol-3-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-2-methylbenzimidazol-3-ium-1-yl)acetate Traditional Name: 2-(3-benzyl-2-methyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC=CC=C21)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N2O2/c1-3-23-19(22)14-21-15(2)20(13-16-9-5-4-6-10-16)17-11-7-8-12-18(17)21/h4-12H,3,13-14H2,1-2H3/q+1