3-(2-methylphenyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]thio]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]sulfanyl-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(C[NH+]4CCOCC4)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC[C@H](C[NH+]4CCOCC4)O

InChI

InChI=1S/C22H25N3O3S/c1-16-6-2-5-9-20(16)25-21(27)18-7-3-4-8-19(18)23-22(25)29-15-17(26)14-24-10-12-28-13-11-24/h2-9,17,26H,10-15H2,1H3/p+1/t17-/m0/s1