2-cyclohexyl-2-(1-oxidanylcyclohexyl)ethanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide

Systemtic Name: 2-cyclohexyl-2-(1-oxidanylcyclohexyl)ethanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide Openeye Name: 2-cyclohexyl-2-(1-hydroxycyclohexyl)acetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide CAS Name: 2-cyclohexyl-2-(1-hydroxycyclohexyl)acetate; diethyl-(2-hydroxyethyl)-methylammonium; bromide IUPAC Name: 2-cyclohexyl-2-(1-hydroxycyclohexyl)acetate; diethyl-(2-hydroxyethyl)-methylazanium; bromide Traditional Name: 2-cyclohexyl-2-(1-hydroxycyclohexyl)acetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide Formula: C21H41BrNO4- MolecularWeight: 451.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.C1CCC(CC1)C(C(=O)[O-])C2(CCCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCO.C1CCC(CC1)C(C(=O)[O-])C2(CCCCC2)O.[Br-]

InChI

InChI=1S/C14H24O3.C7H18NO.BrH/c15-13(16)12(11-7-3-1-4-8-11)14(17)9-5-2-6-10-14;1-4-8(3,5-2)6-7-9;/h11-12,17H,1-10H2,(H,15,16);9H,4-7H2,1-3H3;1H/q;+1;/p-2