ethyl 1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-1-oxo-2-(1-piperazin-4-iumyl)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-piperazin-4-ium-1-ylpropanoyl]isonipecotic acid ethyl ester Formula: C15H28N3O3+ MolecularWeight: 298.40112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)N2CC[NH2+]CC2

InChI

InChI=1S/C15H27N3O3/c1-3-21-15(20)13-4-8-18(9-5-13)14(19)12(2)17-10-6-16-7-11-17/h12-13,16H,3-11H2,1-2H3/p+1/t12-/m0/s1