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

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(5-methyl-3-thiophen-2-yl-pyrazol-1-yl)propyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[3-[5-methyl-3-(2-thienyl)pyrazol-1-yl]propyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-thiophen-2-yl-1-pyrazolyl)propyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)propyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[3-[5-methyl-3-(2-thienyl)pyrazol-1-yl]propyl]ammonium Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CC=CS3

Isomeric SMILES

CC1=CC(=NN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CC=CS3

InChI

InChI=1S/C20H28N5OS/c1-16-13-18(19-8-5-12-27-19)22-24(16)10-6-11-25(2,3)15-20(26)23-9-4-7-17(23)14-21/h5,8,12-13,17H,4,6-7,9-11,15H2,1-3H3/q+1