2-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate

Systemtic Name: 2-[(E)-(3-bromanyl-4-methoxy-phenyl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonate Openeye Name: 2-[(E)-(3-bromo-4-methoxy-phenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonate CAS Name: 2-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate IUPAC Name: 2-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonate Traditional Name: 2-[(E)-(3-bromo-4-methoxy-benzylidene)amino]-1-hydroxy-guanidine tosylate Formula: C16H18BrN4O5S- MolecularWeight: 458.30692

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C9H11BrN4O2.C7H8O3S/c1-16-8-3-2-6(4-7(8)10)5-12-13-9(11)14-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,15H,1H3,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/p-1/b12-5+;