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

Systemtic Name: 3-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[4-(dihexylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[4-(dihexylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[4-(dihexylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C28H42N2O3S MolecularWeight: 486.70968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H42N2O3S/c1-3-5-7-9-21-30(22-10-8-6-4-2)28-16-14-26(15-17-28)12-13-27-18-23-29(24-19-27)20-11-25-34(31,32)33/h12-19,23-24H,3-11,20-22,25H2,1-2H3