2-[(E)-(2-chloranyl-3,4-dimethoxy-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-(2-chloranyl-3,4-dimethoxy-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-(2-chloro-3,4-dimethoxy-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonate CAS Name: 2-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-(2-chloro-3,4-dimethoxy-benzylidene)amino]-1-hydroxy-guanidine tosylate Formula: C17H20ClN4O6S- MolecularWeight: 443.8819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=C(C(=C(C=C1)C=NN=C(N)NO)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=C(C(=C(C=C1)/C=N/N=C(/N)\NO)Cl)OC

InChI

InChI=1S/C10H13ClN4O3.C7H8O3S/c1-17-7-4-3-6(8(11)9(7)18-2)5-13-14-10(12)15-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,16H,1-2H3,(H3,12,14,15);2-5H,1H3,(H,8,9,10)/p-1/b13-5+;