1-(5-chloranylpyridin-2-yl)-4-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranylpyridin-2-yl)-4-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-pyridyl)-4-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-pyridinyl)-4-[[(2S)-1-ethyl-2-piperidin-1-iumyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chloropyridin-2-yl)-4-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-pyridyl)-4-[[(2S)-1-ethylpiperidin-1-ium-2-yl]methyl]piperazin-4-ium Formula: C17H29ClN4+2 MolecularWeight: 324.89196

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1C[NH+]2CCN(CC2)C3=NC=C(C=C3)Cl

Isomeric SMILES

CC[NH+]1CCCC[C@H]1C[NH+]2CCN(CC2)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C17H27ClN4/c1-2-21-8-4-3-5-16(21)14-20-9-11-22(12-10-20)17-7-6-15(18)13-19-17/h6-7,13,16H,2-5,8-12,14H2,1H3/p+2/t16-/m0/s1