1-adamantyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 1-adamantyl-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C21H28N3+ MolecularWeight: 322.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N3/c1-14-2-4-18(5-3-14)20-19(13-23-24-20)12-22-21-9-15-6-16(10-21)8-17(7-15)11-21/h2-5,13,15-17,22H,6-12H2,1H3,(H,23,24)/p+1