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

Systemtic Name: cyclohexyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]azanium Openeye Name: cyclohexyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]ammonium CAS Name: cyclohexyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-[[4-[(3R)-4,4-dimethyl-3,5-diphenyl-3H-pyrazol-2-yl]phenyl]methyl]azanium Traditional Name: cyclohexyl-[4-[(5R)-4,4-dimethyl-3,5-diphenyl-2-pyrazolin-1-yl]benzyl]ammonium Formula: C30H36N3+ MolecularWeight: 438.62694

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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+]C4CCCCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1([C@H](N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C[NH2+]C4CCCCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H35N3/c1-30(2)28(24-12-6-3-7-13-24)32-33(29(30)25-14-8-4-9-15-25)27-20-18-23(19-21-27)22-31-26-16-10-5-11-17-26/h3-4,6-9,12-15,18-21,26,29,31H,5,10-11,16-17,22H2,1-2H3/p+1/t29-/m1/s1