[(1S)-1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(1S)-1-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(2-methylpropyl)azanium Openeye Name: isobutyl-[(1S)-1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]ammonium CAS Name: [(1S)-1-[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1S)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[(1S)-1-[4-keto-3-(p-tolyl)quinazolin-2-yl]ethyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC(C)C

InChI

InChI=1S/C21H25N3O/c1-14(2)13-22-16(4)20-23-19-8-6-5-7-18(19)21(25)24(20)17-11-9-15(3)10-12-17/h5-12,14,16,22H,13H2,1-4H3/p+1/t16-/m0/s1