2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(2-thenyl)ammonium Formula: C24H26N3O2S+ MolecularWeight: 420.54714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](CCO)CC4=CC=CS4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](CCO)CC4=CC=CS4

InChI

InChI=1S/C24H25N3O2S/c1-26-16-20(17-27(13-14-28)18-23-8-5-15-30-23)24(25-26)19-9-11-22(12-10-19)29-21-6-3-2-4-7-21/h2-12,15-16,28H,13-14,17-18H2,1H3/p+1