2-[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one chloride

Systemtic Name: 2-[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl]sulfanyl-3-phenyl-quinazolin-4-one chloride Openeye Name: 2-[1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl]sulfanyl-3-phenyl-quinazolin-4-one chloride CAS Name: 2-[[1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl]thio]-3-phenyl-4-quinazolinone chloride IUPAC Name: 2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl]sulfanyl-3-phenylquinazolin-4-one chloride Traditional Name: 2-[[1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl]thio]-3-phenyl-quinazolin-4-one chloride Formula: C26H31ClN4O2S MolecularWeight: 499.06794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CN2CCCC2=O)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H30N4O2S.ClH/c31-24-14-9-17-29(24)19-21(18-28-15-7-2-8-16-28)33-26-27-23-13-6-5-12-22(23)25(32)30(26)20-10-3-1-4-11-20;/h1,3-6,10-13,21H,2,7-9,14-19H2;1H