1-[(Z)-isoquinolin-1-ylmethylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[(Z)-isoquinolin-1-ylmethylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-hydroxy-1-[(Z)-1-isoquinolylmethyleneamino]guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-hydroxy-1-[(Z)-1-isoquinolinylmethylideneamino]guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-hydroxy-1-[(Z)-isoquinolin-1-ylmethylideneamino]guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1-hydroxy-1-[(Z)-1-isoquinolylmethyleneamino]guanidine; tosylic acid Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CN=C2C=NN(C(=N)N)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C=CN=C2/C=N\N(C(=N)N)O

InChI

InChI=1S/C11H11N5O.C7H8O3S/c12-11(13)16(17)15-7-10-9-4-2-1-3-8(9)5-6-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,17H,(H3,12,13);2-5H,1H3,(H,8,9,10)/b15-7-;