methyl 6-methyl-2-(naphthalen-1-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: methyl 6-methyl-2-(naphthalen-1-ylcarbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-methyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-methyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H20N2O3S/c1-23-11-10-16-17(12-23)27-20(18(16)21(25)26-2)22-19(24)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,10-12H2,1-2H3,(H,22,24)/p+1