2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c30-23(26-18-20-10-3-1-4-11-20)19-32-25-27-22-13-6-5-12-21(22)24(31)29(25)17-9-16-28-14-7-2-8-15-28/h1,3-6,10-13H,2,7-9,14-19H2,(H,26,30)/p+1