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

Systemtic Name: 3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-pyrrolidin-1-iumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3-pyrrolidin-1-ium-1-ylpropyl)-2-thioxo-1H-quinazolin-4-one Formula: C15H20N3OS+ MolecularWeight: 290.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CC[NH+](C1)CCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C15H19N3OS/c19-14-12-6-1-2-7-13(12)16-15(20)18(14)11-5-10-17-8-3-4-9-17/h1-2,6-7H,3-5,8-11H2,(H,16,20)/p+1