methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C(C)[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-4-24(20-11-7-9-17-8-5-6-10-19(17)20)21(25)16(2)23-14-12-18(13-15-23)22(26)27-3/h5-11,16,18H,4,12-15H2,1-3H3/p+1/t16-/m0/s1