2-(azepan-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone Formula: C15H29N2O+ MolecularWeight: 253.40356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH+]2CCCCCC2)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C[NH+]2CCCCCC2)C

InChI

InChI=1S/C15H28N2O/c1-13-8-7-9-14(2)17(13)15(18)12-16-10-5-3-4-6-11-16/h13-14H,3-12H2,1-2H3/p+1/t13-,14-/m1/s1