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2-[3-(1-dodecylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide

2-[3-(1-dodecylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide

Systemtic Name:2-[3-(1-dodecylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide
Openeye Name:2-[3-(1-dodecylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide
CAS Name:2-[3-(1-dodecyl-1-piperidin-1-iumyl)propyl]-2-adamantanol bromide
IUPAC Name:2-[3-(1-dodecylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide
Traditional Name:2-[3-(1-laurylpiperidin-1-ium-1-yl)propyl]adamantan-2-ol bromide
Formula: C30H56BrNO
MolecularWeight: 526.67574
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCCC1)CCCC2(C3CC4CC(C3)CC2C4)O.[Br-]


Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCCC1)CCCC2(C3CC4CC(C3)CC2C4)O.[Br-]


InChI

InChI=1S/C30H56NO.BrH/c1-2-3-4-5-6-7-8-9-10-12-17-31(18-13-11-14-19-31)20-15-16-30(32)28-22-26-21-27(24-28)25-29(30)23-26;/h26-29,32H,2-25H2,1H3;1H/q+1;/p-1


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