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

Systemtic Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-thioxo-quinazolin-4-olate Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCN2C(=C3C=CC=CC3=NC2=S)[O-]

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/h2-5,12,20H,6-11H2,1H3