methyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C19H18N2O3S/c1-12-13(2)25-18(17(12)19(23)24-3)20-16(22)11-21-9-8-14-6-4-5-7-15(14)10-21/h4-10H,11H2,1-3H3/p+1