3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C36H58N2O3S MolecularWeight: 598.92232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C36H58N2O3S/c1-3-5-7-9-11-13-15-17-29-38(30-18-16-14-12-10-8-6-4-2)36-24-22-34(23-25-36)20-21-35-26-31-37(32-27-35)28-19-33-42(39,40)41/h20-27,31-32H,3-19,28-30,33H2,1-2H3