3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-piperidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-piperidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H21N3OS/c20-15-13-7-2-3-8-14(13)17-16(21)19(15)12-6-11-18-9-4-1-5-10-18/h2-3,7-8H,1,4-6,9-12H2,(H,17,21)/p+1