(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C15H22ClN6+ MolecularWeight: 321.82838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]C2CCCN(C2)C3=NC=CC=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3)Cl)C

InChI

InChI=1S/C15H21ClN6/c1-11-13(14(16)21(2)20-11)9-19-12-5-3-8-22(10-12)15-17-6-4-7-18-15/h4,6-7,12,19H,3,5,8-10H2,1-2H3/p+1/t12-/m0/s1