ethyl 1-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetyl]isonipecotic acid ethyl ester Formula: C23H34N3O5+ MolecularWeight: 432.53316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C23H33N3O5/c1-3-30-20-8-6-5-7-18(20)16-26-14-11-24-22(28)19(26)15-21(27)25-12-9-17(10-13-25)23(29)31-4-2/h5-8,17,19H,3-4,9-16H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1