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

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[3-(5-methyl-3-pyrazin-2-yl-pyrazol-1-yl)propyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[3-(5-methyl-3-pyrazin-2-yl-pyrazol-1-yl)propyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[3-[5-methyl-3-(2-pyrazinyl)-1-pyrazolyl]propyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[3-(5-methyl-3-pyrazin-2-ylpyrazol-1-yl)propyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[3-(5-methyl-3-pyrazin-2-yl-pyrazol-1-yl)propyl]ammonium Formula: C20H28N7O+ MolecularWeight: 382.48262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N7O/c1-16-12-18(19-14-22-7-8-23-19)24-26(16)10-5-11-27(2,3)15-20(28)25-9-4-6-17(25)13-21/h7-8,12,14,17H,4-6,9-11,15H2,1-3H3/q+1