3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(4-methyl-1-piperidin-1-iumyl)ethyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(4-methylpiperidin-1-ium-1-yl)ethyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C20H28N4O2S/c1-15-4-6-22(7-5-15)8-9-24-19(25)17-14-16(23-10-12-26-13-11-23)2-3-18(17)21-20(24)27/h2-3,14-15H,4-13H2,1H3,(H,21,27)/p+1