4-octyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide

Systemtic Name: 4-octyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Openeye Name: 4-octyl-5-piperidin-1-ium-4-yl-isoxazol-3-one bromide CAS Name: 4-octyl-5-(4-piperidin-1-iumyl)-3-isoxazolone bromide IUPAC Name: 4-octyl-5-piperidin-1-ium-4-yl-1,2-oxazol-3-one bromide Traditional Name: 4-octyl-5-piperidin-1-ium-4-yl-4-isoxazolin-3-one bromide Formula: C16H29BrN2O2 MolecularWeight: 361.31766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

Isomeric SMILES

CCCCCCCCC1=C(ONC1=O)C2CC[NH2+]CC2.[Br-]

InChI

InChI=1S/C16H28N2O2.BrH/c1-2-3-4-5-6-7-8-14-15(20-18-16(14)19)13-9-11-17-12-10-13;/h13,17H,2-12H2,1H3,(H,18,19);1H