dodecoxy-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecoxy-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: dodecoxy-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: dodecoxy-[3-[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]propyl]-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: dodecoxy-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propyl]-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: lauryloxy-[3-[[(E)-3-(4-methoxyphenyl)acryloyl]amino]propyl]-dimethyl-ammonium tosylate Formula: C34H54N2O6S MolecularWeight: 618.86736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCO[N+](C)(C)CCCNC(=O)C=CC1=CC=C(C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCO[N+](C)(C)CCCNC(=O)/C=C/C1=CC=C(C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C27H46N2O3.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-24-32-29(2,3)23-15-22-28-27(30)21-18-25-16-19-26(31-4)20-17-25;1-6-2-4-7(5-3-6)11(8,9)10/h16-21H,5-15,22-24H2,1-4H3;2-5H,1H3,(H,8,9,10)/b21-18+;