(2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone

Systemtic Name: (2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone Openeye Name: (2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(2-pyridyl)ethanone CAS Name: (2R)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(2-pyridinyl)ethanone IUPAC Name: (2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-ylethanone Traditional Name: (2R)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-piperazino-2-(2-pyridyl)ethanone Formula: C17H27N4O+ MolecularWeight: 303.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O/c1-14-6-3-5-11-21(14)16(15-7-2-4-8-19-15)17(22)20-12-9-18-10-13-20/h2,4,7-8,14,16,18H,3,5-6,9-13H2,1H3/p+1/t14-,16+/m0/s1