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

Systemtic Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(E)-2-[4-(dibutylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3S/c1-3-5-17-26(18-6-4-2)24-12-10-22(11-13-24)8-9-23-14-19-25(20-15-23)16-7-21-30(27,28)29/h8-15,19-20H,3-7,16-18,21H2,1-2H3