[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[2-[(5-phenylpyrimidin-2-yl)amino]ethyl]azanium

Systemtic Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-[2-[(5-phenylpyrimidin-2-yl)amino]ethyl]azanium Openeye Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-[2-[(5-phenylpyrimidin-2-yl)amino]ethyl]ammonium CAS Name: [2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethyl-[2-[(5-phenyl-2-pyrimidinyl)amino]ethyl]ammonium IUPAC Name: [2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethyl-[2-[(5-phenylpyrimidin-2-yl)amino]ethyl]azanium Traditional Name: [2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-[2-[(5-phenylpyrimidin-2-yl)amino]ethyl]ammonium Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=NC=C(C=N1)C2=CC=CC=C2)CC(=O)N3CCCC3C#N

Isomeric SMILES

C[N+](C)(CCNC1=NC=C(C=N1)C2=CC=CC=C2)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C21H27N6O/c1-27(2,16-20(28)26-11-6-9-19(26)13-22)12-10-23-21-24-14-18(15-25-21)17-7-4-3-5-8-17/h3-5,7-8,14-15,19H,6,9-12,16H2,1-2H3,(H,23,24,25)/q+1