(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H24ClN4O+ MolecularWeight: 335.85166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC(=O)NC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC(=O)NC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H23ClN4O/c1-12(2)19-16(23)11-21(4)10-15-13(3)20-22(17(15)18)14-8-6-5-7-9-14/h5-9,12H,10-11H2,1-4H3,(H,19,23)/p+1