[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [3-(1-adamantyl)-1-phenyl-4-pyrazolyl]methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [3-(1-adamantyl)-1-phenylpyrazol-4-yl]methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]methyl-(4-fluorobenzyl)ammonium Formula: C27H31FN3+ MolecularWeight: 416.553543

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C[NH2+]CC5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C[NH2+]CC5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C27H30FN3/c28-24-8-6-19(7-9-24)16-29-17-23-18-31(25-4-2-1-3-5-25)30-26(23)27-13-20-10-21(14-27)12-22(11-20)15-27/h1-9,18,20-22,29H,10-17H2/p+1