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

Systemtic Name: [(1S)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(2-methylpropyl)azanium Openeye Name: [(1S)-1-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]-isobutyl-ammonium CAS Name: [(1S)-1-[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]-(2-methylpropyl)ammonium IUPAC Name: [(1S)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[(1S)-1-(4-keto-3-p-phenetyl-quinazolin-2-yl)ethyl]ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC(C)C

InChI

InChI=1S/C22H27N3O2/c1-5-27-18-12-10-17(11-13-18)25-21(16(4)23-14-15(2)3)24-20-9-7-6-8-19(20)22(25)26/h6-13,15-16,23H,5,14H2,1-4H3/p+1/t16-/m0/s1