2-sulfanylidene-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]quinazolin-4-olate

Systemtic Name: 2-sulfanylidene-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]quinazolin-4-olate Openeye Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 2-sulfanylidene-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-quinazolinolate IUPAC Name: 2-sulfanylidene-3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]quinazolin-4-olate Traditional Name: 3-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-2-thioxo-quinazolin-4-olate Formula: C19H19N3OS MolecularWeight: 337.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCN3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCN3C(=C4C=CC=CC4=NC3=S)[O-]

InChI

InChI=1S/C19H19N3OS/c23-18-16-7-3-4-8-17(16)20-19(24)22(18)12-11-21-10-9-14-5-1-2-6-15(14)13-21/h1-8,23H,9-13H2