2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O4S/c1-18(23(29)19-8-10-20(31-2)11-9-19)33-25-26-22-7-4-3-6-21(22)24(30)28(25)13-5-12-27-14-16-32-17-15-27/h3-4,6-11,18H,5,12-17H2,1-2H3/p+1/t18-/m1/s1