(3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium bromide

Systemtic Name: (3-cyclohexyl-3-oxidanyl-3-phenyl-propyl)-triethyl-azanium bromide Openeye Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium bromide CAS Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylammonium bromide IUPAC Name: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium bromide Traditional Name: (3-cyclohexyl-3-hydroxy-3-phenyl-propyl)-triethyl-ammonium bromide Formula: C21H36BrNO MolecularWeight: 398.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C21H36NO.BrH/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20;/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3;1H/q+1;/p-1