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

Systemtic Name: methyl-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1O)OCO2)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H19N3O3/c1-21(12-15-7-18-19(8-17(15)23)25-13-24-18)10-14-9-20-22(11-14)16-5-3-2-4-6-16/h2-9,11,23H,10,12-13H2,1H3/p+1