adamantane; carboxymethyl-dimethyl-undecyl-azanium; bromide

Systemtic Name: adamantane; carboxymethyl-dimethyl-undecyl-azanium; bromide Openeye Name: adamantane; carboxymethyl-dimethyl-undecyl-ammonium; bromide CAS Name: adamantane; carboxymethyl-dimethyl-undecylammonium; bromide IUPAC Name: adamantane; carboxymethyl-dimethyl-undecylazanium; bromide Traditional Name: adamantane; carboxymethyl-dimethyl-undecyl-ammonium; bromide Formula: C25H48BrNO2 MolecularWeight: 474.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+](C)(C)CC(=O)O.C1C2CC3CC1CC(C2)C3.[Br-]

Isomeric SMILES

CCCCCCCCCCC[N+](C)(C)CC(=O)O.C1C2CC3CC1CC(C2)C3.[Br-]

InChI

InChI=1S/C15H31NO2.C10H16.BrH/c1-4-5-6-7-8-9-10-11-12-13-16(2,3)14-15(17)18;1-7-2-9-4-8(1)5-10(3-7)6-9;/h4-14H2,1-3H3;7-10H,1-6H2;1H