phenyl 3-azanyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate

Systemtic Name: phenyl 3-azanyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate Openeye Name: phenyl 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate CAS Name: 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylic acid phenyl ester IUPAC Name: phenyl 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylate Traditional Name: 3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxylic acid phenyl ester Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)OC4=CC=CC=C4)N

Isomeric SMILES

C[NH+]1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C18H17N3O2S/c1-21-8-7-14-11(10-21)9-13-15(19)16(24-17(13)20-14)18(22)23-12-5-3-2-4-6-12/h2-6,9H,7-8,10,19H2,1H3/p+1