ethyl (3S)-1-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-naphthalenylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(naphthalen-2-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-naphthylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H24N2O3/c1-2-25-20(24)17-8-5-11-22(13-17)14-19(23)21-18-10-9-15-6-3-4-7-16(15)12-18/h3-4,6-7,9-10,12,17H,2,5,8,11,13-14H2,1H3,(H,21,23)/p+1/t17-/m0/s1