ethyl 5,5-dimethyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[1-oxo-3-(1-piperidin-1-iumyl)propyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(3-piperidin-1-ium-1-ylpropanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C20H31N2O4S+ MolecularWeight: 395.53614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CC[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)CC[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O4S/c1-4-25-19(24)17-14-12-20(2,3)26-13-15(14)27-18(17)21-16(23)8-11-22-9-6-5-7-10-22/h4-13H2,1-3H3,(H,21,23)/p+1