(2S)-2-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-[4-(methylthio)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-[4-(methylthio)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O2S/c1-28-18-9-7-17(8-10-18)21-23-20-6-3-2-5-19(20)22(26)25(21)12-4-11-24-13-15-27-16-14-24/h2-3,5-10,21,23H,4,11-16H2,1H3/p+1/t21-/m0/s1