(4E)-2-ethyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Systemtic Name: (4E)-2-ethyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Openeye Name: (4E)-2-ethyl-4-(2-thienylmethylene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate CAS Name: (4E)-2-ethyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate IUPAC Name: (4E)-2-ethyl-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Traditional Name: (4E)-2-ethyl-4-(2-thenylidene)-2,3-dihydro-1H-benzo[b][1,6]naphthyridin-2-ium-10-carboxylate Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC=CS2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=CS2)/C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

InChI

InChI=1S/C20H18N2O2S/c1-2-22-11-13(10-14-6-5-9-25-14)19-16(12-22)18(20(23)24)15-7-3-4-8-17(15)21-19/h3-10H,2,11-12H2,1H3,(H,23,24)/b13-10+