bis[[2-[2-(2-methylprop-2-enoyloxy)tetradecan-3-yl]phenyl]methyl]azanium bromide

Systemtic Name: bis[[2-[2-(2-methylprop-2-enoyloxy)tetradecan-3-yl]phenyl]methyl]azanium bromide Openeye Name: bis[[2-[1-[1-(2-methylprop-2-enoyloxy)ethyl]dodecyl]phenyl]methyl]ammonium bromide CAS Name: bis[[2-[2-(2-methyl-1-oxoprop-2-enoxy)tetradecan-3-yl]phenyl]methyl]ammonium bromide IUPAC Name: bis[[2-[2-(2-methylprop-2-enoyloxy)tetradecan-3-yl]phenyl]methyl]azanium bromide Traditional Name: bis[2-[1-(1-methacryloyloxyethyl)dodecyl]benzyl]ammonium bromide Formula: C50H80BrNO4 MolecularWeight: 839.0785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C1=CC=CC=C1C[NH2+]CC2=CC=CC=C2C(CCCCCCCCCCC)C(C)OC(=O)C(=C)C)C(C)OC(=O)C(=C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C1=CC=CC=C1C[NH2+]CC2=CC=CC=C2C(CCCCCCCCCCC)C(C)OC(=O)C(=C)C)C(C)OC(=O)C(=C)C.[Br-]

InChI

InChI=1S/C50H79NO4.BrH/c1-9-11-13-15-17-19-21-23-25-33-45(41(7)54-49(52)39(3)4)47-35-29-27-31-43(47)37-51-38-44-32-28-30-36-48(44)46(42(8)55-50(53)40(5)6)34-26-24-22-20-18-16-14-12-10-2;/h27-32,35-36,41-42,45-46,51H,3,5,9-26,33-34,37-38H2,1-2,4,6-8H3;1H