ethyl (3S)-1-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2,5-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,5-diethoxyanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,5-diethoxyanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,5-diethoxyanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2,5-diethoxyanilino)-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)OCC)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-4-25-16-9-10-18(26-5-2)17(12-16)21-19(23)14-22-11-7-8-15(13-22)20(24)27-6-3/h9-10,12,15H,4-8,11,13-14H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1