[1-[(Z)-1-ethoxy-2-phenyl-ethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate; 4-methylbenzenesulfonate

Systemtic Name: [1-[(Z)-1-ethoxy-2-phenyl-ethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate; 4-methylbenzenesulfonate Openeye Name: [1-[(Z)-1-ethoxy-2-phenyl-vinyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-methyl-2-propenoic acid [1-[(Z)-1-ethoxy-2-phenylethenyl]-4-pyridin-1-iumyl] ester IUPAC Name: [1-[(Z)-1-ethoxy-2-phenylethenyl]pyridin-1-ium-4-yl] 2-methylprop-2-enoate; 4-methylbenzenesulfonate Traditional Name: 2-methylacrylic acid [1-[(Z)-1-ethoxy-2-phenyl-vinyl]pyridin-1-ium-4-yl] ester tosylate Formula: C26H27NO6S MolecularWeight: 481.56068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=CC=CC=C1)[N+]2=CC=C(C=C2)OC(=O)C(=C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCO/C(=C\C1=CC=CC=C1)/[N+]2=CC=C(C=C2)OC(=O)C(=C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H20NO3.C7H8O3S/c1-4-22-18(14-16-8-6-5-7-9-16)20-12-10-17(11-13-20)23-19(21)15(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-14H,2,4H2,1,3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b18-14-;