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

Systemtic Name: ethyl 1-[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O3/c1-3-26-21(25)17-10-12-23(13-11-17)15(2)20(24)22-19-9-8-16-6-4-5-7-18(16)14-19/h4-9,14-15,17H,3,10-13H2,1-2H3,(H,22,24)/p+1/t15-/m1/s1