[1-(2-chlorophenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [1-(2-chlorophenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [1-(2-chlorophenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [1-(2-chlorophenyl)-4-pyrazolyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [1-(2-chlorophenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [1-(2-chlorophenyl)pyrazol-4-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H22ClN6+ MolecularWeight: 369.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CN(N=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CN(N=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClN6/c20-17-6-1-2-7-18(17)26-13-15(12-24-26)11-23-16-5-3-10-25(14-16)19-21-8-4-9-22-19/h1-2,4,6-9,12-13,16,23H,3,5,10-11,14H2/p+1/t16-/m0/s1