8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-1-ium-6-carboxylic acid

Systemtic Name: 8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-1-ium-6-carboxylic acid Openeye Name: 8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-1-ium-6-carboxylic acid CAS Name: 8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-1-ium-6-carboxylic acid IUPAC Name: 8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothieno[3,4-g]indazol-1-ium-6-carboxylic acid Traditional Name: 8-(1,3-benzodioxol-5-yloxy)-1-ethyl-1-methyl-4,5-dihydrothien[3,4-g]indazol-1-ium-6-carboxylic acid Formula: C20H19N2O5S+ MolecularWeight: 399.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(CCC3=C(SC(=C32)OC4=CC5=C(C=C4)OCO5)C(=O)O)C=N1)C

Isomeric SMILES

CC[N+]1(C2=C(CCC3=C(SC(=C32)OC4=CC5=C(C=C4)OCO5)C(=O)O)C=N1)C

InChI

InChI=1S/C20H18N2O5S/c1-3-22(2)17-11(9-21-22)4-6-13-16(17)20(28-18(13)19(23)24)27-12-5-7-14-15(8-12)26-10-25-14/h5,7-9H,3-4,6,10H2,1-2H3/p+1