3-[4-[(Z)-1-(dioctylamino)-2-phenyl-ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[(Z)-1-(dioctylamino)-2-phenyl-ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[(Z)-1-(dioctylamino)-2-phenyl-vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[(Z)-1-(dioctylamino)-2-phenylethenyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[(Z)-1-(dioctylamino)-2-phenylethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[(Z)-1-(dioctylamino)-2-phenyl-vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C32H51N2O3S+ MolecularWeight: 543.82394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=CC1=CC=CC=C1)C2=CC=[N+](C=C2)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)/C(=C\C1=CC=CC=C1)/C2=CC=[N+](C=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C32H50N2O3S/c1-3-5-7-9-11-16-24-34(25-17-12-10-8-6-4-2)32(29-30-19-14-13-15-20-30)31-21-26-33(27-22-31)23-18-28-38(35,36)37/h13-15,19-22,26-27,29H,3-12,16-18,23-25,28H2,1-2H3/p+1/b32-29-