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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-furylmethyl)-methyl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(2-furanylmethyl)-methylammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(furan-2-ylmethyl)-methylazanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3/c1-25(15-20-8-5-11-27-20)13-18-14-26(19-6-3-2-4-7-19)24-23(18)17-9-10-21-22(12-17)29-16-28-21/h2-12,14H,13,15-16H2,1H3/p+1