7-chloranyl-1-[(4-methoxyphenyl)methyl]-3-[methyl(propyl)sulfonio]-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 7-chloranyl-1-[(4-methoxyphenyl)methyl]-3-[methyl(propyl)sulfonio]-4-oxidanylidene-quinolin-2-olate Openeye Name: 7-chloro-1-[(4-methoxyphenyl)methyl]-3-[methyl(propyl)sulfonio]-4-oxo-quinolin-2-olate CAS Name: 7-chloro-1-[(4-methoxyphenyl)methyl]-3-[methyl(propyl)sulfonio]-4-oxo-2-quinolinolate IUPAC Name: 7-chloro-1-[(4-methoxyphenyl)methyl]-3-[methyl(propyl)sulfonio]-4-oxoquinolin-2-olate Traditional Name: 7-chloro-4-keto-3-[methyl(propyl)sulfonio]-1-p-anisyl-quinolin-2-olate Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CCC[S+](C)C1=C(N(C2=C(C1=O)C=CC(=C2)Cl)CC3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CCC[S+](C)C1=C(N(C2=C(C1=O)C=CC(=C2)Cl)CC3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C21H22ClNO3S/c1-4-11-27(3)20-19(24)17-10-7-15(22)12-18(17)23(21(20)25)13-14-5-8-16(26-2)9-6-14/h5-10,12H,4,11,13H2,1-3H3