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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-[2-(1-imidazolyl)ethyl]-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N5O2/c1-27(11-12-28-10-9-25-17-28)15-21-16-29(14-19-5-3-2-4-6-19)26-24(21)20-7-8-22-23(13-20)31-18-30-22/h2-10,13,16-17H,11-12,14-15,18H2,1H3/p+1