ethyl 4-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-benzyloxyanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-benzoxyanilino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-21(26)23-19-8-10-20(11-9-19)29-17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,23,26)/p+1