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

Systemtic Name: 3-[4-[(Z)-1-(didecylamino)-2-phenyl-ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[(Z)-1-(didecylamino)-2-phenyl-vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[(Z)-1-(didecylamino)-2-phenylethenyl]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[(Z)-1-(didecylamino)-2-phenylethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[(Z)-1-(didecylamino)-2-phenyl-vinyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C36H59N2O3S+ MolecularWeight: 599.93026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN(CCCCCCCCCC)C(=CC1=CC=CC=C1)C2=CC=[N+](C=C2)CCCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C36H58N2O3S/c1-3-5-7-9-11-13-15-20-28-38(29-21-16-14-12-10-8-6-4-2)36(33-34-23-18-17-19-24-34)35-25-30-37(31-26-35)27-22-32-42(39,40)41/h17-19,23-26,30-31,33H,3-16,20-22,27-29,32H2,1-2H3/p+1/b36-33-