ethyl 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)C[NH+]2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H30N2O3/c1-4-16-6-8-17(9-7-16)15(3)21-19(23)14-22-12-10-18(11-13-22)20(24)25-5-2/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,21,23)/p+1/t15-/m1/s1