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

Systemtic Name: methyl 2-[4-[2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 2-[4-[2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-oxoethyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetyl]phenoxy]acetic acid methyl ester Formula: C19H20N3O4+ MolecularWeight: 354.3798

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)OCC(=O)OC)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)OCC(=O)OC)N

InChI

InChI=1S/C19H19N3O4/c1-21-15-5-3-4-6-16(15)22(19(21)20)11-17(23)13-7-9-14(10-8-13)26-12-18(24)25-2/h3-10,20H,11-12H2,1-2H3/p+1