[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]ammonium CAS Name: [4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]azanium Traditional Name: benzyl-[4-[(5R)-4,4-dimethyl-3,5-diphenyl-2-pyrazolin-1-yl]benzyl]ammonium Formula: C31H32N3+ MolecularWeight: 446.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C[NH2+]CC4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1([C@H](N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C[NH2+]CC4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H31N3/c1-31(2)29(26-14-8-4-9-15-26)33-34(30(31)27-16-10-5-11-17-27)28-20-18-25(19-21-28)23-32-22-24-12-6-3-7-13-24/h3-21,30,32H,22-23H2,1-2H3/p+1/t30-/m1/s1