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

Systemtic Name: methyl 2-[2-(2-azanyl-3-prop-2-enyl-benzimidazol-1-ium-1-yl)ethanoyl]benzoate Openeye Name: methyl 2-[2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetyl]benzoate CAS Name: 2-[2-(2-amino-3-prop-2-enyl-1-benzimidazol-1-iumyl)-1-oxoethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-amino-3-prop-2-enylbenzimidazol-1-ium-1-yl)acetyl]benzoate Traditional Name: 2-[2-(3-allyl-2-amino-benzimidazol-1-ium-1-yl)acetyl]benzoic acid methyl ester Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)C[N+]2=C(N(C3=CC=CC=C32)CC=C)N

InChI

InChI=1S/C20H19N3O3/c1-3-12-22-16-10-6-7-11-17(16)23(20(22)21)13-18(24)14-8-4-5-9-15(14)19(25)26-2/h3-11,21H,1,12-13H2,2H3/p+1