6,7-diethoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCC(CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CCC(CC3)C)OCC

InChI

InChI=1S/C21H31N3O3S/c1-4-26-18-13-16-17(14-19(18)27-5-2)22-21(28)24(20(16)25)10-6-9-23-11-7-15(3)8-12-23/h13-15H,4-12H2,1-3H3,(H,22,28)/p+1