[1-bromanyl-3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)octadecan-3-yl]azanium bromide

Systemtic Name: [1-bromanyl-3,4-bis(5-methyl-2-propan-2-yl-cyclohexyl)octadecan-3-yl]azanium bromide Openeye Name: [1-(2-bromoethyl)-1,2-bis(2-isopropyl-5-methyl-cyclohexyl)hexadecyl]ammonium bromide CAS Name: [1-bromo-3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)octadecan-3-yl]ammonium bromide IUPAC Name: [1-bromo-3,4-bis(5-methyl-2-propan-2-ylcyclohexyl)octadecan-3-yl]azanium bromide Traditional Name: [1-(2-bromoethyl)-1,2-bis(2-isopropyl-5-methyl-cyclohexyl)hexadecyl]ammonium bromide Formula: C38H75Br2N MolecularWeight: 705.8168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1CC(CCC1C(C)C)C)C(CCBr)(C2CC(CCC2C(C)C)C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C1CC(CCC1C(C)C)C)C(CCBr)(C2CC(CCC2C(C)C)C)[NH3+].[Br-]

InChI

InChI=1S/C38H74BrN.BrH/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-36(35-27-31(6)21-23-33(35)29(2)3)38(40,25-26-39)37-28-32(7)22-24-34(37)30(4)5;/h29-37H,8-28,40H2,1-7H3;1H