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

Systemtic Name: [(2S)-butan-2-yl]-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-[(1S)-1-methylpropyl]ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]C(C)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC[C@H](C)[NH2+][C@H](C)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C14H19N3O/c1-4-9(2)15-10(3)13-16-12-8-6-5-7-11(12)14(18)17-13/h5-10,15H,4H2,1-3H3,(H,16,17,18)/p+1/t9-,10+/m0/s1