1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-piperazine-1,4-diium-1-yl-ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-piperazine-1,4-diium-1-yl-ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-piperazine-1,4-diium-1-yl-ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-(1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-piperazine-1,4-diium-1-ylethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-piperazine-1,4-diium-1-yl-ethanone Formula: C13H27N3O+2 MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CC[NH2+]CC2)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)C[NH+]2CC[NH2+]CC2)C

InChI

InChI=1S/C13H25N3O/c1-11-7-12(2)9-16(8-11)13(17)10-15-5-3-14-4-6-15/h11-12,14H,3-10H2,1-2H3/p+2/t11-,12-/m1/s1