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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)CC5=NC=CN=C5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)CC5=NC=CN=C5

InChI

InChI=1S/C24H23N5O2/c1-28(16-21-12-25-9-10-26-21)14-20-15-29(13-18-5-3-2-4-6-18)27-24(20)19-7-8-22-23(11-19)31-17-30-22/h2-12,15H,13-14,16-17H2,1H3/p+1