3-(3-piperidin-1-ium-1-ylpropanoylamino)-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(3-piperidin-1-ium-1-ylpropanoylamino)-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(3-piperidin-1-ium-1-ylpropanoylamino)-2-thioxo-quinazolin-4-olate CAS Name: 3-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(3-piperidin-1-ium-1-ylpropanoylamino)-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-(3-piperidin-1-ium-1-ylpropanoylamino)-2-thioxo-quinazolin-4-olate Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NN2C(=C3C=CC=CC3=NC2=S)[O-]

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/h2-3,6-7,22H,1,4-5,8-11H2,(H,18,21)