(3S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-3-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3S)-3-[2-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3S)-3-[2-[(3S,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C13H24N3O2+ MolecularWeight: 254.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CC2C(=O)NCC[NH2+]2)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[C@H]2C(=O)NCC[NH2+]2)C

InChI

InChI=1S/C13H23N3O2/c1-9-5-10(2)8-16(7-9)12(17)6-11-13(18)15-4-3-14-11/h9-11,14H,3-8H2,1-2H3,(H,15,18)/p+1/t9-,10-,11-/m0/s1