4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; N'-[(E)-[4-[(E)-2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide

Systemtic Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; N'-[(E)-[4-[(E)-2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide Openeye Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; N'-[(E)-[4-[(E)-2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)vinyl]phenyl]methyleneamino]pyrrolidine-1-carboxamidine CAS Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; N'-[(E)-[4-[(E)-2-(1-methyl-2-imidazo[1,2-a]pyridin-4-iumyl)ethenyl]phenyl]methylideneamino]-1-pyrrolidinecarboximidamide IUPAC Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; N'-[(E)-[4-[(E)-2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]pyrrolidine-1-carboximidamide Traditional Name: N'-[(E)-[4-[(E)-2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)vinyl]benzylidene]amino]pyrrolidine-1-carboxamidine; tosylic acid; tosylate Formula: C36H40N6O6S2 MolecularWeight: 716.8694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C=CC3=CC=C(C=C3)C=NN=C(N)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1/C=C/C3=CC=C(C=C3)/C=N/N=C(/N)\N4CCCC4

InChI

InChI=1S/C22H25N6.2C7H8O3S/c1-26-20(17-28-15-3-2-6-21(26)28)12-11-18-7-9-19(10-8-18)16-24-25-22(23)27-13-4-5-14-27;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-3,6-12,15-17H,4-5,13-14H2,1H3,(H2,23,25);2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1/b12-11+,24-16+;;