[7-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]-methyl-propyl-sulfanium

Systemtic Name: [7-chloranyl-1-[(4-methoxyphenyl)methyl]-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]-methyl-propyl-sulfanium Openeye Name: [7-chloro-2-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxo-3-quinolyl]-methyl-propyl-sulfonium CAS Name: [7-chloro-2-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxo-3-quinolinyl]-methyl-propylsulfonium IUPAC Name: [7-chloro-2-hydroxy-1-[(4-methoxyphenyl)methyl]-4-oxoquinolin-3-yl]-methyl-propylsulfanium Traditional Name: (7-chloro-2-hydroxy-4-keto-1-p-anisyl-3-quinolyl)-methyl-propyl-sulfonium Formula: C21H23ClNO3S+ MolecularWeight: 404.93022

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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/p+1