N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(4-keto-2-thioxo-1H-quinazolin-3-yl)-3-piperidin-1-ium-1-yl-propionamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H20N4O2S/c21-14(8-11-19-9-4-1-5-10-19)18-20-15(22)12-6-2-3-7-13(12)17-16(20)23/h2-3,6-7H,1,4-5,8-11H2,(H,17,23)(H,18,21)/p+1