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

Systemtic Name: 1-cyclohexyl-6-oxidanyl-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Openeye Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinone IUPAC Name: 1-cyclohexyl-6-hydroxy-2-sulfanylidene-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-one Traditional Name: 1-cyclohexyl-6-hydroxy-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-thioxo-pyrimidin-4-one Formula: C19H24N3O2S+ MolecularWeight: 358.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)NC2=S)[C@@H]3C4=CC=CC=C4CC[NH2+]3)O

InChI

InChI=1S/C19H23N3O2S/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)/p+1/t16-/m0/s1