ethyl 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H29N2O4S+ MolecularWeight: 381.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[NH+]2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C19H28N2O4S/c1-6-25-19(24)16-13(4)17(14(5)22)26-18(16)20-15(23)10-21-8-11(2)7-12(3)9-21/h11-12H,6-10H2,1-5H3,(H,20,23)/p+1/t11-,12-/m1/s1