[2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethyl-azanium dichloride

Systemtic Name: [2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethyl-azanium dichloride Openeye Name: [2-dodecyl-3-methyl-6-[(trimethylammonio)methyl]phenyl]methyl-trimethyl-ammonium dichloride CAS Name: [2-dodecyl-3-methyl-6-[(trimethylammonio)methyl]phenyl]methyl-trimethylammonium dichloride IUPAC Name: [2-dodecyl-3-methyl-6-[(trimethylazaniumyl)methyl]phenyl]methyl-trimethylazanium dichloride Traditional Name: [2-lauryl-3-methyl-6-[(trimethylammonio)methyl]benzyl]-trimethyl-ammonium dichloride Formula: C27H52Cl2N2 MolecularWeight: 475.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1C[N+](C)(C)C)C[N+](C)(C)C)C.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1C[N+](C)(C)C)C[N+](C)(C)C)C.[Cl-].[Cl-]

InChI

InChI=1S/C27H52N2.2ClH/c1-9-10-11-12-13-14-15-16-17-18-19-26-24(2)20-21-25(22-28(3,4)5)27(26)23-29(6,7)8;;/h20-21H,9-19,22-23H2,1-8H3;2*1H/q+2;;/p-2