1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 1-adamantyl-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C20H24Cl2N3+ MolecularWeight: 377.33066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(NN=C4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3/c21-16-1-2-17(18(22)6-16)19-15(11-24-25-19)10-23-20-7-12-3-13(8-20)5-14(4-12)9-20/h1-2,6,11-14,23H,3-5,7-10H2,(H,24,25)/p+1