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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-benzyl-(2-hydroxyethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-benzyl-(2-hydroxyethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-benzyl-(2-hydroxyethyl)ammonium Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH+](CCO)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH+](CCO)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O3/c30-14-13-28(16-20-7-3-1-4-8-20)17-22-18-29(23-9-5-2-6-10-23)27-26(22)21-11-12-24-25(15-21)32-19-31-24/h1-12,15,18,30H,13-14,16-17,19H2/p+1