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

Systemtic Name: methyl 2-[2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 2-[2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetyl]benzoate CAS Name: 2-[2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)acetyl]benzoate Traditional Name: 2-[2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C18H18N3O3+ MolecularWeight: 324.35382

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3C(=O)OC)N

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)C3=CC=CC=C3C(=O)OC)N

InChI

InChI=1S/C18H17N3O3/c1-20-14-9-5-6-10-15(14)21(18(20)19)11-16(22)12-7-3-4-8-13(12)17(23)24-2/h3-10,19H,11H2,1-2H3/p+1