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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(dimethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H22ClN4O+ MolecularWeight: 321.82508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O/c1-12-14(10-20(4)11-15(22)19(2)3)16(17)21(18-12)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3/p+1