1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]piperidin-1-ium IUPAC Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C22H24N3O2+ MolecularWeight: 362.44486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O2/c1-3-7-19(8-4-1)25-15-18(14-24-11-5-2-6-12-24)22(23-25)17-9-10-20-21(13-17)27-16-26-20/h1,3-4,7-10,13,15H,2,5-6,11-12,14,16H2/p+1