bis[2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium; methyl sulfate

Systemtic Name: bis[2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium; methyl sulfate Openeye Name: bis[2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-ammonium; methyl sulfate CAS Name: bis[2-[(E)-3-(4-dodecoxyphenyl)-1-oxoprop-2-enoxy]ethyl]-dimethylammonium; methyl sulfate IUPAC Name: bis[2-[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxyethyl]-dimethylazanium; methyl sulfate Traditional Name: bis[2-[(E)-3-(4-lauryloxyphenyl)acryloyl]oxyethyl]-dimethyl-ammonium; methyl sulfate Formula: C49H79NO10S MolecularWeight: 874.21726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=CC(=O)OCC[N+](C)(C)CCOC(=O)C=CC2=CC=C(C=C2)OCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)OCC[N+](CCOC(=O)/C=C/C2=CC=C(C=C2)OCCCCCCCCCCCC)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C48H76NO6.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-39-52-45-31-25-43(26-32-45)29-35-47(50)54-41-37-49(3,4)38-42-55-48(51)36-30-44-27-33-46(34-28-44)53-40-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h25-36H,5-24,37-42H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b35-29+,36-30+;