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

Systemtic Name: 3-(4-methoxyphenyl)-2-[1-morpholin-4-ium-4-yl-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one chloride Openeye Name: 3-(4-methoxyphenyl)-2-[1-(morpholin-4-ium-4-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-quinazolin-4-one chloride CAS Name: 3-(4-methoxyphenyl)-2-[[1-(4-morpholin-4-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl]thio]-4-quinazolinone chloride IUPAC Name: 3-(4-methoxyphenyl)-2-[1-morpholin-4-ium-4-yl-3-(2-oxopyrrolidin-1-yl)propan-2-yl]sulfanylquinazolin-4-one chloride Traditional Name: 2-[[1-[(2-ketopyrrolidino)methyl]-2-morpholin-4-ium-4-yl-ethyl]thio]-3-(4-methoxyphenyl)quinazolin-4-one chloride Formula: C26H31ClN4O4S MolecularWeight: 531.06674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C[NH+]4CCOCC4)CN5CCCC5=O.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C[NH+]4CCOCC4)CN5CCCC5=O.[Cl-]

InChI

InChI=1S/C26H30N4O4S.ClH/c1-33-20-10-8-19(9-11-20)30-25(32)22-5-2-3-6-23(22)27-26(30)35-21(17-28-13-15-34-16-14-28)18-29-12-4-7-24(29)31;/h2-3,5-6,8-11,21H,4,7,12-18H2,1H3;1H