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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N3O3/c1-26(16-21-8-5-11-28-21)14-20-15-27(13-18-6-3-2-4-7-18)25-24(20)19-9-10-22-23(12-19)30-17-29-22/h2-12,15H,13-14,16-17H2,1H3/p+1