methyl 2-[4-[2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C20H22N3O4+ MolecularWeight: 368.40638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-3-22-16-6-4-5-7-17(16)23(20(22)21)12-18(24)14-8-10-15(11-9-14)27-13-19(25)26-2/h4-11,21H,3,12-13H2,1-2H3/p+1