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

Systemtic Name: 3-(1-methylpiperidin-1-ium-4-yl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1-methylpiperidin-1-ium-4-yl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1-methyl-4-piperidin-1-iumyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1-methylpiperidin-1-ium-4-yl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(1-methylpiperidin-1-ium-4-yl)-2-thioxo-1H-quinazolin-4-one Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[NH+]1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C14H17N3OS/c1-16-8-6-10(7-9-16)17-13(18)11-4-2-3-5-12(11)15-14(17)19/h2-5,10H,6-9H2,1H3,(H,15,19)/p+1