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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

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