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

Systemtic Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone Openeye Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(2-pyridyl)ethanone CAS Name: (2R)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(2-pyridinyl)ethanone IUPAC Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-ylethanone Traditional Name: (2R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazino-2-(2-pyridyl)ethanone Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1C(C2=CC=CC=N2)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1[C@H](C2=CC=CC=N2)C(=O)N3CCNCC3)C

InChI

InChI=1S/C18H28N4O/c1-14-6-5-7-15(2)22(14)17(16-8-3-4-9-20-16)18(23)21-12-10-19-11-13-21/h3-4,8-9,14-15,17,19H,5-7,10-13H2,1-2H3/p+1/t14-,15-,17+/m0/s1