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

Systemtic Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C17H23N3OS/c1-13-7-11-19(12-8-13)9-4-10-20-16(21)14-5-2-3-6-15(14)18-17(20)22/h2-3,5-6,13H,4,7-12H2,1H3,(H,18,22)/p+1