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

Systemtic Name: 2-hydroxyethyl-(thiophen-2-ylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: 2-hydroxyethyl-(2-thienylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-(thiophen-2-ylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-(thiophen-2-ylmethyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: 2-hydroxyethyl-(2-thenyl)-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O4S/c1-25-17-9-14(10-18(26-2)20(17)27-3)19-15(11-21-22-19)12-23(6-7-24)13-16-5-4-8-28-16/h4-5,8-11,24H,6-7,12-13H2,1-3H3,(H,21,22)/p+1