4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; 2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine

Systemtic Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; 2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine Openeye Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; 2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)vinyl]phenyl]methyleneamino]guanidine CAS Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; 2-[[4-[2-(1-methyl-2-imidazo[1,2-a]pyridin-4-iumyl)ethenyl]phenyl]methylideneamino]guanidine IUPAC Name: 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid; 2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)ethenyl]phenyl]methylideneamino]guanidine Traditional Name: 2-[[4-[2-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)vinyl]benzylidene]amino]guanidine; tosylic acid; tosylate Formula: C32H34N6O6S2 MolecularWeight: 662.77896

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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)N

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=C1C=CC3=CC=C(C=C3)C=NN=C(N)N

InChI

InChI=1S/C18H19N6.2C7H8O3S/c1-23-16(13-24-11-3-2-4-17(23)24)10-9-14-5-7-15(8-6-14)12-21-22-18(19)20;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-13H,1H3,(H4,19,20,22);2*2-5H,1H3,(H,8,9,10)/q+1;;/p-1