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

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)-methyl-azanium Openeye Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)-methyl-ammonium CAS Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)-methylammonium IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(2,1,3-benzothiadiazol-5-ylmethyl)-methylazanium Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-methyl-(piazthiol-5-ylmethyl)ammonium Formula: C19H18N5O2S+ MolecularWeight: 380.44352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+](CC1=CC2=NSN=C2C=C1)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C19H17N5O2S/c1-24(9-12-2-4-15-16(6-12)23-27-22-15)10-14-8-20-21-19(14)13-3-5-17-18(7-13)26-11-25-17/h2-8H,9-11H2,1H3,(H,20,21)/p+1