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

Systemtic Name: 2-[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C25H30N3O3S+ MolecularWeight: 452.589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O3S/c1-18-8-10-20(11-9-18)23(29)19(2)32-25-26-22-7-4-3-6-21(22)24(30)28(25)13-5-12-27-14-16-31-17-15-27/h3-4,6-11,19H,5,12-17H2,1-2H3/p+1/t19-/m0/s1