[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [3-(3,5-dimethylpyrazol-1-yl)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H26N6/c1-16-12-17(2)27(25-16)20-8-3-6-18(13-20)14-24-19-7-4-11-26(15-19)21-22-9-5-10-23-21/h3,5-6,8-10,12-13,19,24H,4,7,11,14-15H2,1-2H3/p+1/t19-/m0/s1