1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 1-adamantyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C22H30N3+ MolecularWeight: 336.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3/c1-14-3-4-19(5-15(14)2)21-20(13-24-25-21)12-23-22-9-16-6-17(10-22)8-18(7-16)11-22/h3-5,13,16-18,23H,6-12H2,1-2H3,(H,24,25)/p+1