[(3R)-1-[4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-3-yl]methylazanium

Systemtic Name: [(3R)-1-[4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-3-yl]methylazanium Openeye Name: [(3R)-1-[4-[1-(o-tolyl)pyrazol-4-yl]pyrimidin-2-yl]-3-piperidyl]methylammonium CAS Name: [(3R)-1-[4-[1-(2-methylphenyl)-4-pyrazolyl]-2-pyrimidinyl]-3-piperidinyl]methylammonium IUPAC Name: [(3R)-1-[4-[1-(2-methylphenyl)pyrazol-4-yl]pyrimidin-2-yl]piperidin-3-yl]methylazanium Traditional Name: [(3R)-1-[4-[1-(o-tolyl)pyrazol-4-yl]pyrimidin-2-yl]-3-piperidyl]methylammonium Formula: C20H25N6+ MolecularWeight: 349.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C=N2)C3=NC(=NC=C3)N4CCCC(C4)C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C=N2)C3=NC(=NC=C3)N4CCC[C@@H](C4)C[NH3+]

InChI

InChI=1S/C20H24N6/c1-15-5-2-3-7-19(15)26-14-17(12-23-26)18-8-9-22-20(24-18)25-10-4-6-16(11-21)13-25/h2-3,5,7-9,12,14,16H,4,6,10-11,13,21H2,1H3/p+1/t16-/m1/s1