2-hydroxyethyl-(phenylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-(phenylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-(phenylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-27-19-11-17(12-20(28-2)22(19)29-3)21-18(13-23-24-21)15-25(9-10-26)14-16-7-5-4-6-8-16/h4-8,11-13,26H,9-10,14-15H2,1-3H3,(H,23,24)/p+1