[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O/c1-14(2)16-9-11-17(12-10-16)21(15(3)4)23-13-20-24-19-8-6-5-7-18(19)22(26)25-20/h5-12,14-15,21,23H,13H2,1-4H3,(H,24,25,26)/p+1/t21-/m0/s1