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

Systemtic Name: ethyl (3S)-1-[(2S)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-3-26-21(25)18-9-6-12-23(14-18)15(2)20(24)22-19-11-10-16-7-4-5-8-17(16)13-19/h4-5,7-8,10-11,13,15,18H,3,6,9,12,14H2,1-2H3,(H,22,24)/p+1/t15-,18-/m0/s1