methyl 4-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3/c1-3-21-13-22(17-7-5-4-6-16(17)21)12-18(23)20-15-10-8-14(9-11-15)19(24)25-2/h3-11,13H,1,12H2,2H3/p+1