1-cyclohexyl-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one chloride

Systemtic Name: 1-cyclohexyl-6-oxidanyl-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one chloride Openeye Name: 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-one chloride CAS Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-4-pyrimidinone chloride IUPAC Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)pyrimidin-4-one chloride Traditional Name: 1-cyclohexyl-6-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl)-2-thioxo-pyrimidin-4-one chloride Formula: C19H24ClN3O2S MolecularWeight: 393.93076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CC[NH2+]3)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)NC2=S)C3C4=CC=CC=C4CC[NH2+]3)O.[Cl-]

InChI

InChI=1S/C19H23N3O2S.ClH/c23-17-15(16-14-9-5-4-6-12(14)10-11-20-16)18(24)22(19(25)21-17)13-7-2-1-3-8-13;/h4-6,9,13,16,20,24H,1-3,7-8,10-11H2,(H,21,23,25);1H