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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=NC(=CN1CCC[N+](C)(C)CC(=O)N2CCCC2C#N)C3=CN=CC=C3

InChI

InChI=1S/C21H29N6O/c1-17-24-20(18-7-4-9-23-14-18)15-25(17)10-6-12-27(2,3)16-21(28)26-11-5-8-19(26)13-22/h4,7,9,14-15,19H,5-6,8,10-12,16H2,1-3H3/q+1