1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)azanium

Systemtic Name: 1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)azanium Openeye Name: 1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: 1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)ammonium IUPAC Name: 1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: 1-adamantylmethyl-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H35N3O3/c1-30-21-3-4-22(23(10-21)31-2)24-20(14-26-27-24)15-28(5-6-29)16-25-11-17-7-18(12-25)9-19(8-17)13-25/h3-4,10,14,17-19,29H,5-9,11-13,15-16H2,1-2H3,(H,26,27)/p+1