ethyl (2S)-3-[4-[(2S)-3-ethoxy-2-methyl-3-oxidanylidene-propyl]piperazin-1-ium-1-yl]-2-methyl-propanoate

Systemtic Name: ethyl (2S)-3-[4-[(2S)-3-ethoxy-2-methyl-3-oxidanylidene-propyl]piperazin-1-ium-1-yl]-2-methyl-propanoate Openeye Name: ethyl (2S)-3-[4-[(2S)-3-ethoxy-2-methyl-3-oxo-propyl]piperazin-1-ium-1-yl]-2-methyl-propanoate CAS Name: (2S)-3-[4-[(2S)-3-ethoxy-2-methyl-3-oxopropyl]-1-piperazin-1-iumyl]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[4-[(2S)-3-ethoxy-2-methyl-3-oxopropyl]piperazin-1-ium-1-yl]-2-methylpropanoate Traditional Name: (2S)-3-[4-[(2S)-3-ethoxy-3-keto-2-methyl-propyl]piperazin-1-ium-1-yl]-2-methyl-propionic acid ethyl ester Formula: C16H31N2O4+ MolecularWeight: 315.42834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C[NH+]1CCN(CC1)CC(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H](C)C[NH+]1CCN(CC1)C[C@H](C)C(=O)OCC

InChI

InChI=1S/C16H30N2O4/c1-5-21-15(19)13(3)11-17-7-9-18(10-8-17)12-14(4)16(20)22-6-2/h13-14H,5-12H2,1-4H3/p+1/t13-,14-/m0/s1