(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone

Systemtic Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-yl-ethanone Openeye Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(3-pyridyl)ethanone CAS Name: (2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-(3-pyridinyl)ethanone IUPAC Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-3-ylethanone Traditional Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazino-2-(3-pyridyl)ethanone Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-2-16-7-3-4-11-22(16)17(15-6-5-8-20-14-15)18(23)21-12-9-19-10-13-21/h5-6,8,14,16-17,19H,2-4,7,9-13H2,1H3/p+1/t16-,17+/m0/s1