3-prop-2-enyl-2-sulfanyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoyl]-1H-pyrimidin-3-ium-4,6-dione

Systemtic Name: 3-prop-2-enyl-2-sulfanyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanoyl]-1H-pyrimidin-3-ium-4,6-dione Openeye Name: 3-allyl-2-sulfanyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]-1H-pyrimidin-3-ium-4,6-dione CAS Name: 2-mercapto-5-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]-3-prop-2-enyl-1H-pyrimidin-3-ium-4,6-dione IUPAC Name: 3-prop-2-enyl-2-sulfanyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]-1H-pyrimidin-3-ium-4,6-dione Traditional Name: 3-allyl-2-mercapto-5-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetyl]-1H-pyrimidin-3-ium-4,6-quinone Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(NC(=O)C(C1=O)C(=O)CC2C3=CC=CC=C3CCN2)S

Isomeric SMILES

C=CC[N+]1=C(NC(=O)C(C1=O)C(=O)CC2C3=CC=CC=C3CCN2)S

InChI

InChI=1S/C18H19N3O3S/c1-2-9-21-17(24)15(16(23)20-18(21)25)14(22)10-13-12-6-4-3-5-11(12)7-8-19-13/h2-6,13,15,19H,1,7-10H2,(H,20,23,25)/p+1