ethyl (3S)-1-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26ClN2O4+ MolecularWeight: 369.86304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-2-24-18(23)14-4-3-10-21(12-14)13-17(22)20-9-11-25-16-7-5-15(19)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,20,22)/p+1/t14-/m0/s1