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

Systemtic Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-yl-ethanone Openeye Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(2-pyridyl)ethanone CAS Name: (2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(2-pyridinyl)ethanone IUPAC Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-2-ylethanone Traditional Name: (2R)-2-[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1C(C2=CC=CC=N2)C(=O)N3CCNCC3

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-2-15-7-4-6-12-22(15)17(16-8-3-5-9-20-16)18(23)21-13-10-19-11-14-21/h3,5,8-9,15,17,19H,2,4,6-7,10-14H2,1H3/p+1/t15-,17+/m0/s1