[(2R)-4-phenylbutan-2-yl]-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: [(2R)-4-phenylbutan-2-yl]-[(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)methyl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyl]ammonium CAS Name: [(2R)-4-phenylbutan-2-yl]-[(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2R)-4-phenylbutan-2-yl]-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-[[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]methyl]ammonium Formula: C25H27N4+ MolecularWeight: 383.50868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CN(N=C2C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4/c1-20(12-13-21-8-4-2-5-9-21)27-18-23-19-29(24-10-6-3-7-11-24)28-25(23)22-14-16-26-17-15-22/h2-11,14-17,19-20,27H,12-13,18H2,1H3/p+1/t20-/m1/s1