4-[(2S)-octan-2-yl]oxypiperidin-1-ium

Systemtic Name: 4-[(2S)-octan-2-yl]oxypiperidin-1-ium Openeye Name: 4-[(1S)-1-methylheptoxy]piperidin-1-ium CAS Name: 4-[(2S)-octan-2-yl]oxypiperidin-1-ium IUPAC Name: 4-[(2S)-octan-2-yl]oxypiperidin-1-ium Traditional Name: 4-[(1S)-1-methylheptoxy]piperidin-1-ium Formula: C13H28NO+ MolecularWeight: 214.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1CC[NH2+]CC1

Isomeric SMILES

CCCCCC[C@H](C)OC1CC[NH2+]CC1

InChI

InChI=1S/C13H27NO/c1-3-4-5-6-7-12(2)15-13-8-10-14-11-9-13/h12-14H,3-11H2,1-2H3/p+1/t12-/m0/s1