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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H22ClN4O+ MolecularWeight: 333.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](C)CC(=O)NC2CC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH+](C)CC(=O)NC2CC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H21ClN4O/c1-12-15(10-21(2)11-16(23)19-13-8-9-13)17(18)22(20-12)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3,(H,19,23)/p+1