ethyl (3S)-1-[(2S,3R)-2-methoxycarbonyl-3-oxidanyl-3-pyridin-4-yl-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S,3R)-2-methoxycarbonyl-3-oxidanyl-3-pyridin-4-yl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2S)-2-[(R)-hydroxy(4-pyridyl)methyl]-3-methoxy-3-oxo-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2S,3R)-2-carbomethoxy-3-hydroxy-3-(4-pyridyl)propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(C(C2=CC=NC=C2)O)C(=O)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@@H]([C@H](C2=CC=NC=C2)O)C(=O)OC

InChI

InChI=1S/C18H26N2O5/c1-3-25-17(22)14-5-4-10-20(11-14)12-15(18(23)24-2)16(21)13-6-8-19-9-7-13/h6-9,14-16,21H,3-5,10-12H2,1-2H3/p+1/t14-,15-,16-/m0/s1