2-[(3-methylphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(m-tolylmethylsulfanyl)quinazolin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-[3-(4-morpholin-4-iumyl)propyl]-4-quinazolinone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N3O2S/c1-18-6-4-7-19(16-18)17-29-23-24-21-9-3-2-8-20(21)22(27)26(23)11-5-10-25-12-14-28-15-13-25/h2-4,6-9,16H,5,10-15,17H2,1H3/p+1