3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C16H22N3OS+ MolecularWeight: 304.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H21N3OS/c1-12-6-8-18(9-7-12)10-11-19-15(20)13-4-2-3-5-14(13)17-16(19)21/h2-5,12H,6-11H2,1H3,(H,17,21)/p+1