(2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-4-yl-ethanone

Systemtic Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-4-yl-ethanone Openeye Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-(4-pyridyl)ethanone CAS Name: (2R)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-2-pyridin-4-ylethanone IUPAC Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-2-pyridin-4-ylethanone Traditional Name: (2R)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-piperazino-2-(4-pyridyl)ethanone Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c1-2-16-5-3-4-12-22(16)17(15-6-8-19-9-7-15)18(23)21-13-10-20-11-14-21/h6-9,16-17,20H,2-5,10-14H2,1H3/p+1/t16-,17+/m0/s1