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

Systemtic Name: methyl 6-ethyl-2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: methyl 6-ethyl-2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 6-ethyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-ethyl-2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 6-ethyl-2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylic acid methyl ester Formula: C23H25N2O3S+ MolecularWeight: 409.5212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N2O3S/c1-3-25-12-11-18-19(14-25)29-22(21(18)23(27)28-2)24-20(26)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,3,11-14H2,1-2H3,(H,24,26)/p+1