2,3-dicyclohexyl-3-oxidanyl-butanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide

Systemtic Name: 2,3-dicyclohexyl-3-oxidanyl-butanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide Openeye Name: 2,3-dicyclohexyl-3-hydroxy-butanoate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide CAS Name: 2,3-dicyclohexyl-3-hydroxybutanoate; diethyl-(2-hydroxyethyl)-methylammonium; bromide IUPAC Name: 2,3-dicyclohexyl-3-hydroxybutanoate; diethyl-(2-hydroxyethyl)-methylazanium; bromide Traditional Name: 2,3-dicyclohexyl-3-hydroxy-butyrate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide Formula: C23H45BrNO4- MolecularWeight: 479.5117

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.CC(C1CCCCC1)(C(C2CCCCC2)C(=O)[O-])O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCO.CC(C1CCCCC1)(C(C2CCCCC2)C(=O)[O-])O.[Br-]

InChI

InChI=1S/C16H28O3.C7H18NO.BrH/c1-16(19,13-10-6-3-7-11-13)14(15(17)18)12-8-4-2-5-9-12;1-4-8(3,5-2)6-7-9;/h12-14,19H,2-11H2,1H3,(H,17,18);9H,4-7H2,1-3H3;1H/q;+1;/p-2