[(1S)-1-[4-[1-(2-methylpropyl)-6-oxidanylidene-pyridazin-3-yl]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-[1-(2-methylpropyl)-6-oxidanylidene-pyridazin-3-yl]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(1-isobutyl-6-oxo-pyridazin-3-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-[1-(2-methylpropyl)-6-oxo-3-pyridazinyl]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-[1-(2-methylpropyl)-6-oxopyridazin-3-yl]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(1-isobutyl-6-keto-pyridazin-3-yl)phenyl]ethyl]ammonium Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C(C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(C)C)[NH3+]

InChI

InChI=1S/C16H21N3O/c1-11(2)10-19-16(20)9-8-15(18-19)14-6-4-13(5-7-14)12(3)17/h4-9,11-12H,10,17H2,1-3H3/p+1/t12-/m0/s1