1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ium-1-yl-ethanone Openeye Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-piperazin-1-ium-1-yl-ethanone CAS Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-(1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ium-1-ylethanone Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidino]-2-piperazin-1-ium-1-yl-ethanone Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH+]2CCNCC2)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)C[NH+]2CCNCC2)C

InChI

InChI=1S/C13H25N3O/c1-11-4-3-5-12(2)16(11)13(17)10-15-8-6-14-7-9-15/h11-12,14H,3-10H2,1-2H3/p+1/t11-,12-/m0/s1