methyl 2,4-dimethyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C20H20N2O3S/c1-11-9-17(22-15-8-6-5-7-14(11)15)26-10-16(23)19-12(2)18(13(3)21-19)20(24)25-4/h5-9,21H,10H2,1-4H3/p+1