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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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