ethyl (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H31N2O5+ MolecularWeight: 379.47054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C20H30N2O5/c1-3-25-17-7-9-18(10-8-17)27-13-11-21-19(23)15-22-12-5-6-16(14-22)20(24)26-4-2/h7-10,16H,3-6,11-15H2,1-2H3,(H,21,23)/p+1/t16-/m1/s1