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

Systemtic Name: bis(2-hydroxyethyl)-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: bis(2-hydroxyethyl)-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: bis(2-hydroxyethyl)-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: bis(2-hydroxyethyl)-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-23-15-18(16-24(11-13-25)12-14-26)21(22-23)17-7-9-20(10-8-17)27-19-5-3-2-4-6-19/h2-10,15,25-26H,11-14,16H2,1H3/p+1