ethyl 1-methyl-8-phenoxy-4,5-dihydrothieno[3,4-g]indazol-1-ium-1-carboxylate

Systemtic Name: ethyl 1-methyl-8-phenoxy-4,5-dihydrothieno[3,4-g]indazol-1-ium-1-carboxylate Openeye Name: ethyl 1-methyl-8-phenoxy-4,5-dihydrothieno[3,4-g]indazol-1-ium-1-carboxylate CAS Name: 1-methyl-8-phenoxy-4,5-dihydrothieno[3,4-g]indazol-1-ium-1-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-8-phenoxy-4,5-dihydrothieno[3,4-g]indazol-1-ium-1-carboxylate Traditional Name: 1-methyl-8-phenoxy-4,5-dihydrothien[3,4-g]indazol-1-ium-1-carboxylic acid ethyl ester Formula: C19H19N2O3S+ MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(C2=C(CCC3=CSC(=C32)OC4=CC=CC=C4)C=N1)C

Isomeric SMILES

CCOC(=O)[N+]1(C2=C(CCC3=CSC(=C32)OC4=CC=CC=C4)C=N1)C

InChI

InChI=1S/C19H19N2O3S/c1-3-23-19(22)21(2)17-13(11-20-21)9-10-14-12-25-18(16(14)17)24-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10H2,1-2H3/q+1