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

Systemtic Name: ethyl 4-[(2R)-1-(naphthalen-2-ylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-keto-1-methyl-2-(2-naphthylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H25N3O3/c1-3-26-20(25)23-12-10-22(11-13-23)15(2)19(24)21-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1