[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(5-methyl-3-pyridin-4-yl-pyrazol-1-yl)propyl]azanium

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(5-methyl-3-pyridin-4-yl-pyrazol-1-yl)propyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[3-[5-methyl-3-(4-pyridyl)pyrazol-1-yl]propyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-pyridin-4-yl-1-pyrazolyl)propyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)propyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[3-[5-methyl-3-(4-pyridyl)pyrazol-1-yl]propyl]ammonium Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N6O/c1-17-14-20(18-7-9-23-10-8-18)24-26(17)12-5-13-27(2,3)16-21(28)25-11-4-6-19(25)15-22/h7-10,14,19H,4-6,11-13,16H2,1-3H3/q+1