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

Systemtic Name: ethyl 5,5-dimethyl-2-(4-piperidin-1-ium-1-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-2-(4-piperidin-1-ium-1-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[1-oxo-4-(1-piperidin-1-iumyl)butyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-2-(4-piperidin-1-ium-1-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(4-piperidin-1-ium-1-ylbutanoylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid ethyl ester Formula: C21H33N2O4S+ MolecularWeight: 409.56272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-4-26-20(25)18-15-13-21(2,3)27-14-16(15)28-19(18)22-17(24)9-8-12-23-10-6-5-7-11-23/h4-14H2,1-3H3,(H,22,24)/p+1