4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-nitrophenyl)vinyl]pyridin-1-ium CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]pyridin-1-ium Traditional Name: 1-methyl-2-[(E)-2-(2-nitrophenyl)vinyl]pyridin-1-ium tosylate Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1C=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13N2O2.C7H8O3S/c1-15-11-5-4-7-13(15)10-9-12-6-2-3-8-14(12)16(17)18;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b10-9+;