ethyl 1-ethyl-7-methylsulfanyl-4-phenylazanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-ethyl-7-methylsulfanyl-4-phenylazanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-anilino-1-ethyl-7-methylsulfanyl-quinolin-1-ium-3-carboxylate CAS Name: 4-anilino-1-ethyl-7-(methylthio)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-1-ethyl-7-methylsulfanylquinolin-1-ium-3-carboxylate Traditional Name: 4-anilino-1-ethyl-7-(methylthio)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C(C(=C1)C(=O)OCC)NC3=CC=CC=C3)SC

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C(C(=C1)C(=O)OCC)NC3=CC=CC=C3)SC

InChI

InChI=1S/C21H22N2O2S/c1-4-23-14-18(21(24)25-5-2)20(22-15-9-7-6-8-10-15)17-12-11-16(26-3)13-19(17)23/h6-14H,4-5H2,1-3H3/p+1