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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-methyl-(2-thiazolylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-methyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(thiazol-2-ylmethyl)ammonium Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC=CS5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)CC5=NC=CS5

InChI

InChI=1S/C22H20N4O2S/c1-25(14-21-23-9-10-29-21)12-17-13-26(18-5-3-2-4-6-18)24-22(17)16-7-8-19-20(11-16)28-15-27-19/h2-11,13H,12,14-15H2,1H3/p+1