2-sulfanylidene-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazolin-4-one

Systemtic Name: 2-sulfanylidene-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazolin-4-one Openeye Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 2-sulfanylidene-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazolin-4-one IUPAC Name: 2-sulfanylidene-3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazolin-4-one Traditional Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H22N3OS+ MolecularWeight: 352.47318

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H21N3OS/c24-19-17-8-3-4-9-18(17)21-20(25)23(19)12-5-11-22-13-10-15-6-1-2-7-16(15)14-22/h1-4,6-9H,5,10-14H2,(H,21,25)/p+1