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

Systemtic Name: ethyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H31N2O3+ MolecularWeight: 383.50384

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-4-25(21-12-8-10-18-9-6-7-11-20(18)21)22(26)17(3)24-15-13-19(14-16-24)23(27)28-5-2/h6-12,17,19H,4-5,13-16H2,1-3H3/p+1/t17-/m0/s1