methyl 2-[2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate

Systemtic Name: methyl 2-[2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 2-[2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetyl]benzoate CAS Name: 2-[2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetyl]benzoate Traditional Name: 2-[2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C19H20N3O3+ MolecularWeight: 338.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H19N3O3/c1-3-21-15-10-6-7-11-16(15)22(19(21)20)12-17(23)13-8-4-5-9-14(13)18(24)25-2/h4-11,20H,3,12H2,1-2H3/p+1