methyl 2-[4-[2-(2-azanyl-3,6-dimethyl-benzimidazol-3-ium-1-yl)ethanoyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3,6-dimethyl-benzimidazol-3-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(2-amino-3,6-dimethyl-benzimidazol-3-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3,6-dimethyl-1-benzimidazol-3-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3,6-dimethylbenzimidazol-3-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-amino-3,6-dimethyl-benzimidazol-3-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[N+](=C(N2CC(=O)C3=CC=C(C=C3)OCC(=O)OC)N)C

Isomeric SMILES

CC1=CC2=C(C=C1)[N+](=C(N2CC(=O)C3=CC=C(C=C3)OCC(=O)OC)N)C

InChI

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