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

Systemtic Name: ethyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-1-(2-naphthyl)ethyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC(C)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N[C@H](C)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H28N2O3/c1-3-27-22(26)18-10-12-24(13-11-18)15-21(25)23-16(2)19-9-8-17-6-4-5-7-20(17)14-19/h4-9,14,16,18H,3,10-13,15H2,1-2H3,(H,23,25)/p+1/t16-/m1/s1