5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-hydroxy-2-thioxo-pyrimidin-4-one CAS Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-hydroxy-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-hexyl-6-hydroxy-2-thioxo-pyrimidin-4-one Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=S)C2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=S)[C@@H]2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)O

InChI

InChI=1S/C21H29N3O4S/c1-4-5-6-7-10-24-20(26)17(19(25)23-21(24)29)18-14-12-16(28-3)15(27-2)11-13(14)8-9-22-18/h11-12,18,22,26H,4-10H2,1-3H3,(H,23,25,29)/p+1/t18-/m0/s1