3-[4-[(E)-2-[6-(dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[(E)-2-[6-(dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[6-(dibutylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[6-(dibutylamino)-2-naphthalenyl]ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[6-(dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[6-(dibutylamino)-2-naphthyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C=C2)C=CC3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H36N2O3S/c1-3-5-17-30(18-6-4-2)28-13-12-26-22-25(10-11-27(26)23-28)9-8-24-14-19-29(20-15-24)16-7-21-34(31,32)33/h8-15,19-20,22-23H,3-7,16-18,21H2,1-2H3