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

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(5-methyl-3-phenyl-pyrazol-1-yl)propyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[3-(5-methyl-3-phenyl-pyrazol-1-yl)propyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-phenyl-1-pyrazolyl)propyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-phenylpyrazol-1-yl)propyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[3-(5-methyl-3-phenyl-pyrazol-1-yl)propyl]ammonium Formula: C22H30N5O+ MolecularWeight: 380.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N5O/c1-18-15-21(19-9-5-4-6-10-19)24-26(18)13-8-14-27(2,3)17-22(28)25-12-7-11-20(25)16-23/h4-6,9-10,15,20H,7-8,11-14,17H2,1-3H3/q+1