methyl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CN(C3=CC=CC=C32)C=C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CN(C3=CC=CC=C32)C=C)C

InChI

InChI=1S/C19H19N3O3S/c1-5-21-11-22(15-9-7-6-8-14(15)21)10-16(23)20-18-17(19(24)25-4)12(2)13(3)26-18/h5-9,11H,1,10H2,2-4H3/p+1