ethyl (3S)-1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C15H20ClN3O3/c1-2-22-15(21)11-5-4-8-19(9-11)10-13(20)18-12-6-3-7-17-14(12)16/h3,6-7,11H,2,4-5,8-10H2,1H3,(H,18,20)/p+1/t11-/m0/s1