[(2S)-1-(azepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-(azepan-1-ium-1-yl)-3-(2-oxidanylidenepyrrolidin-1-yl)propan-2-yl] ethanoate Openeye Name: [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-(2-oxopyrrolidin-1-yl)ethyl] acetate CAS Name: acetic acid [(2S)-1-(1-azepan-1-iumyl)-3-(2-oxo-1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-ium-1-yl)-3-(2-oxopyrrolidin-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-(azepan-1-ium-1-ylmethyl)-2-(2-ketopyrrolidino)ethyl] ester Formula: C15H27N2O3+ MolecularWeight: 283.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[NH+]1CCCCCC1)CN2CCCC2=O

Isomeric SMILES

CC(=O)O[C@H](C[NH+]1CCCCCC1)CN2CCCC2=O

InChI

InChI=1S/C15H26N2O3/c1-13(18)20-14(12-17-10-6-7-15(17)19)11-16-8-4-2-3-5-9-16/h14H,2-12H2,1H3/p+1/t14-/m1/s1