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

Systemtic Name: (2S)-2-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(4-methylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(4-methylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-3-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)-1,2-dihydroquinazolin-4-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C22H27N3O2/c1-17-7-9-18(10-8-17)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