[7-methylsulfanyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl-(4-oxidanylcyclohexyl)azanium

Systemtic Name: [7-methylsulfanyl-2-oxidanylidene-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: (4-hydroxycyclohexyl)-[[7-methylsulfanyl-2-oxo-1-(4-pyridylmethyl)-3-quinolyl]methyl]ammonium CAS Name: (4-hydroxycyclohexyl)-[[7-(methylthio)-2-oxo-1-(pyridin-4-ylmethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: (4-hydroxycyclohexyl)-[[7-methylsulfanyl-2-oxo-1-(pyridin-4-ylmethyl)quinolin-3-yl]methyl]azanium Traditional Name: (4-hydroxycyclohexyl)-[[2-keto-7-(methylthio)-1-(4-pyridylmethyl)-3-quinolyl]methyl]ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)C[NH2+]C4CCC(CC4)O

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=NC=C3)C[NH2+]C4CCC(CC4)O

InChI

InChI=1S/C23H27N3O2S/c1-29-21-7-2-17-12-18(14-25-19-3-5-20(27)6-4-19)23(28)26(22(17)13-21)15-16-8-10-24-11-9-16/h2,7-13,19-20,25,27H,3-6,14-15H2,1H3/p+1