[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: [(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(4-ethylphenyl)-2-methyl-propyl]-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)[NH2+]C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)[NH2+][C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O/c1-5-16-10-12-17(13-11-16)20(14(2)3)23-15(4)21-24-19-9-7-6-8-18(19)22(26)25-21/h6-15,20,23H,5H2,1-4H3,(H,24,25,26)/p+1/t15-,20+/m1/s1