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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC(C)C

InChI

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