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

Systemtic Name: 3-[3-(3-chlorophenyl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 3-[3-(3-chlorophenyl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 3-[3-(3-chlorophenyl)-5-methyl-1-pyrazolyl]propyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 3-[3-(3-chlorophenyl)-5-methylpyrazol-1-yl]propyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 3-[3-(3-chlorophenyl)-5-methyl-pyrazol-1-yl]propyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C22H29ClN5O+ MolecularWeight: 414.95156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN5O/c1-17-13-21(18-7-4-8-19(23)14-18)25-27(17)11-6-12-28(2,3)16-22(29)26-10-5-9-20(26)15-24/h4,7-8,13-14,20H,5-6,9-12,16H2,1-3H3/q+1