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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(2-pyridylmethyl)ammonium Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CC=CC=N1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2/c1-28(17-22-9-5-6-12-26-22)15-21-16-29(14-19-7-3-2-4-8-19)27-25(21)20-10-11-23-24(13-20)31-18-30-23/h2-13,16H,14-15,17-18H2,1H3/p+1