ethyl (3R)-1-[[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C(SC(=C2C(=O)OCC)N)C(=O)NC

InChI

InChI=1S/C18H27N3O5S/c1-4-25-17(23)11-7-6-8-21(9-11)10-12-13(18(24)26-5-2)15(19)27-14(12)16(22)20-3/h11H,4-10,19H2,1-3H3,(H,20,22)/p+1/t11-/m1/s1