2,1,3-benzothiadiazol-5-ylmethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-methyl-azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-pyrazolyl]methyl]-methylammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazol-4-yl]methyl]-methylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-pyrazol-4-yl]methyl-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)CC4=CC5=NSN=C5C=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCO3)C[NH+](C)CC4=CC5=NSN=C5C=C4

InChI

InChI=1S/C21H21N5O2S/c1-25(11-14-3-5-17-18(9-14)24-29-23-17)12-16-13-26(2)22-21(16)15-4-6-19-20(10-15)28-8-7-27-19/h3-6,9-10,13H,7-8,11-12H2,1-2H3/p+1