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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[2-(4-hydroxyphenyl)ethyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(4-hydroxyphenyl)ethyl]ammonium Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CC=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CC=C(C=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c29-22-9-6-18(7-10-22)12-13-26-15-20-16-28(21-4-2-1-3-5-21)27-25(20)19-8-11-23-24(14-19)31-17-30-23/h1-11,14,16,26,29H,12-13,15,17H2/p+1