[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: [1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methyl-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: [1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C22H33N5+2 MolecularWeight: 367.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C

InChI

InChI=1S/C22H31N5/c1-21(2)13-19(14-22(3,4)26-21)24-15-18-16-27(12-8-11-23)25-20(18)17-9-6-5-7-10-17/h5-7,9-10,16,19,24,26H,8,12-15H2,1-4H3/p+2