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

Systemtic Name: ethyl 4-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H25N3O3/c1-3-23-17(22)20-11-9-19(10-12-20)14(2)16(21)18-13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3,(H,18,21)/p+1/t14-/m1/s1