dimethyl-[(4-methylphenyl)methyl]-phenyl-azanium; 4-dodecylbenzenesulfonate

Systemtic Name: dimethyl-[(4-methylphenyl)methyl]-phenyl-azanium; 4-dodecylbenzenesulfonate Openeye Name: dimethyl-phenyl-(p-tolylmethyl)ammonium; 4-dodecylbenzenesulfonate CAS Name: dimethyl-[(4-methylphenyl)methyl]-phenylammonium; 4-dodecylbenzenesulfonate IUPAC Name: dimethyl-[(4-methylphenyl)methyl]-phenylazanium; 4-dodecylbenzenesulfonate Traditional Name: dimethyl-(4-methylbenzyl)-phenyl-ammonium; 4-laurylbesylate Formula: C34H49NO3S MolecularWeight: 551.82276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)C[N+](C)(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)C[N+](C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H30O3S.C16H20N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;1-14-9-11-15(12-10-14)13-17(2,3)16-7-5-4-6-8-16/h13-16H,2-12H2,1H3,(H,19,20,21);4-12H,13H2,1-3H3/q;+1/p-1