2-[4-oxidanylidene-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinazolin-2-yl]sulfanylethanamide

Systemtic Name: 2-[4-oxidanylidene-3-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinazolin-2-yl]sulfanylethanamide Openeye Name: 2-[3-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-quinazolin-2-yl]sulfanylacetamide CAS Name: 2-[[4-oxo-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[3-(1-benzylpiperidin-1-ium-4-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(1-benzylpiperidin-1-ium-4-yl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c23-20(27)15-29-22-24-19-9-5-4-8-18(19)21(28)26(22)17-10-12-25(13-11-17)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H2,23,27)/p+1