[(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(5S)-7,7-dimethyl-2-(4-morpholinyl)-6,8-dihydro-5H-quinazolin-5-yl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(5S)-7,7-dimethyl-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-yl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(5S)-7,7-dimethyl-2-morpholino-6,8-dihydro-5H-quinazolin-5-yl]-[4-(methylthio)benzyl]ammonium Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CN=C(N=C2C1)N3CCOCC3)[NH2+]CC4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1(C[C@@H](C2=CN=C(N=C2C1)N3CCOCC3)[NH2+]CC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C22H30N4OS/c1-22(2)12-19(23-14-16-4-6-17(28-3)7-5-16)18-15-24-21(25-20(18)13-22)26-8-10-27-11-9-26/h4-7,15,19,23H,8-14H2,1-3H3/p+1/t19-/m0/s1