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

Systemtic Name: [1-(2-methylphenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [1-(o-tolyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [1-(2-methylphenyl)-4-pyrazolyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [1-(2-methylphenyl)pyrazol-4-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [1-(o-tolyl)pyrazol-4-yl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C=N2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C=N2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C20H24N6/c1-16-6-2-3-8-19(16)26-14-17(13-24-26)12-23-18-7-4-11-25(15-18)20-21-9-5-10-22-20/h2-3,5-6,8-10,13-14,18,23H,4,7,11-12,15H2,1H3/p+1/t18-/m0/s1