adamantane-1-carboxylate; decyl-(2-hydroxyethyl)-dimethyl-azanium; bromide

Systemtic Name: adamantane-1-carboxylate; decyl-(2-hydroxyethyl)-dimethyl-azanium; bromide Openeye Name: adamantane-1-carboxylate; decyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide CAS Name: 1-adamantanecarboxylate; decyl-(2-hydroxyethyl)-dimethylammonium; bromide IUPAC Name: adamantane-1-carboxylate; decyl-(2-hydroxyethyl)-dimethylazanium; bromide Traditional Name: adamantane-1-carboxylate; decyl-(2-hydroxyethyl)-dimethyl-ammonium; bromide Formula: C25H47BrNO3- MolecularWeight: 489.54958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCO.C1C2CC3CC1CC(C2)(C3)C(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCO.C1C2CC3CC1CC(C2)(C3)C(=O)[O-].[Br-]

InChI

InChI=1S/C14H32NO.C11H16O2.BrH/c1-4-5-6-7-8-9-10-11-12-15(2,3)13-14-16;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;/h16H,4-14H2,1-3H3;7-9H,1-6H2,(H,12,13);1H/q+1;;/p-2