4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate

Systemtic Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate Openeye Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)vinyl]-N,N-dimethyl-aniline; 4-methylbenzenesulfonate CAS Name: 4-[(E)-2-(1-dodecyl-4-pyridin-1-iumyl)ethenyl]-N,N-dimethylaniline; 4-methylbenzenesulfonate IUPAC Name: 4-[(E)-2-(1-dodecylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline; 4-methylbenzenesulfonate Traditional Name: [4-[(E)-2-(1-laurylpyridin-1-ium-4-yl)vinyl]phenyl]-dimethyl-amine tosylate Formula: C34H48N2O3S MolecularWeight: 564.82152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H41N2.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-22-29-23-20-26(21-24-29)15-14-25-16-18-27(19-17-25)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h14-21,23-24H,4-13,22H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1