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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(furan-2-yl)ethyl]azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-furyl)ethyl]ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-[2-(2-furanyl)ethyl]ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-[2-(furan-2-yl)ethyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-furyl)ethyl]ammonium Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3C[NH2+]CCC4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C23H21N3O3/c1-2-5-19(6-3-1)26-15-18(14-24-11-10-20-7-4-12-27-20)23(25-26)17-8-9-21-22(13-17)29-16-28-21/h1-9,12-13,15,24H,10-11,14,16H2/p+1