(1,3-diphenylpyrazol-4-yl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl-methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium CAS Name: (1,3-diphenyl-4-pyrazolyl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylammonium IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methylazanium Traditional Name: (1,3-diphenylpyrazol-4-yl)methyl-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-methyl-ammonium Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3/c1-27(14-19-12-23-24(13-22(19)29)31-17-30-23)15-20-16-28(21-10-6-3-7-11-21)26-25(20)18-8-4-2-5-9-18/h2-13,16,29H,14-15,17H2,1H3/p+1