(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone

Systemtic Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone Openeye Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(2-pyridyl)ethanone CAS Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(2-pyridinyl)ethanone IUPAC Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-ylethanone Traditional Name: (2R)-2-[(3S,5S)-3,5-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:

CC1CC(C[NH+](C1)C(C2=CC=CC=N2)C(=O)N3CCNCC3)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@H](C2=CC=CC=N2)C(=O)N3CCNCC3)C

InChI

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