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

Systemtic Name: 3-(4-methoxyphenyl)-2-[1-(2-oxidanylidenepyrrolidin-1-yl)-3-piperidin-1-ium-1-yl-propan-2-yl]sulfanyl-quinazolin-4-one chloride Openeye Name: 3-(4-methoxyphenyl)-2-[1-[(2-oxopyrrolidin-1-yl)methyl]-2-piperidin-1-ium-1-yl-ethyl]sulfanyl-quinazolin-4-one chloride CAS Name: 3-(4-methoxyphenyl)-2-[[1-(2-oxo-1-pyrrolidinyl)-3-(1-piperidin-1-iumyl)propan-2-yl]thio]-4-quinazolinone chloride IUPAC Name: 3-(4-methoxyphenyl)-2-[1-(2-oxopyrrolidin-1-yl)-3-piperidin-1-ium-1-ylpropan-2-yl]sulfanylquinazolin-4-one chloride Traditional Name: 2-[[1-[(2-ketopyrrolidino)methyl]-2-piperidin-1-ium-1-yl-ethyl]thio]-3-(4-methoxyphenyl)quinazolin-4-one chloride Formula: C27H33ClN4O3S MolecularWeight: 529.09392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C[NH+]4CCCCC4)CN5CCCC5=O.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C[NH+]4CCCCC4)CN5CCCC5=O.[Cl-]

InChI

InChI=1S/C27H32N4O3S.ClH/c1-34-21-13-11-20(12-14-21)31-26(33)23-8-3-4-9-24(23)28-27(31)35-22(18-29-15-5-2-6-16-29)19-30-17-7-10-25(30)32;/h3-4,8-9,11-14,22H,2,5-7,10,15-19H2,1H3;1H