methyl 4-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methylquinolin-1-ium-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-methyl-2-quinolin-1-iumyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methylquinolin-1-ium-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methylquinolin-1-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N2O3S+ MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18N2O3S/c1-13-11-19(22-17-6-4-3-5-16(13)17)26-12-18(23)21-15-9-7-14(8-10-15)20(24)25-2/h3-11H,12H2,1-2H3,(H,21,23)/p+1