3-[3-(5-chloranylpyridin-3-yl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: 3-[3-(5-chloranylpyridin-3-yl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 3-[3-(5-chloro-3-pyridyl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 3-[3-(5-chloro-3-pyridinyl)-5-methyl-1-pyrazolyl]propyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 3-[3-(5-chloropyridin-3-yl)-5-methylpyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 3-[3-(5-chloro-3-pyridyl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C21H28ClN6O+ MolecularWeight: 415.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

CC1=CC(=NN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C21H28ClN6O/c1-16-10-20(17-11-18(22)14-24-13-17)25-27(16)8-5-9-28(2,3)15-21(29)26-7-4-6-19(26)12-23/h10-11,13-14,19H,4-9,15H2,1-3H3/q+1