ethyl 4-[(2-oxidanylidenepiperidin-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanylidenepiperidin-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-oxo-1-piperidyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-oxo-1-piperidinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxopiperidin-1-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-ketopiperidino)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H24N3O3+ MolecularWeight: 270.34796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2CCCCC2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2CCCCC2=O

InChI

InChI=1S/C13H23N3O3/c1-2-19-13(18)15-9-7-14(8-10-15)11-16-6-4-3-5-12(16)17/h2-11H2,1H3/p+1