4-methylbenzenesulfonic acid; 2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]-1-oxidanylidene-guanidine

Systemtic Name: 4-methylbenzenesulfonic acid; 2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]-1-oxidanylidene-guanidine Openeye Name: 4-methylbenzenesulfonic acid; 2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]-1-oxo-guanidine CAS Name: 4-methylbenzenesulfonic acid; 2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]-1-oxoguanidine IUPAC Name: 4-methylbenzenesulfonic acid; 2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]-1-oxoguanidine Traditional Name: 1-keto-2-[[(Z)-(5-nitro-2H-isoquinolin-1-ylidene)methyl]amino]guanidine; tosylic acid Formula: C18H18N6O6S MolecularWeight: 446.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=CNC2=CNN=C(N)N=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC\2=C(C=CN/C2=C\N/N=C(/N)\N=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N6O3.C7H8O3S/c12-11(16-18)15-14-6-9-7-2-1-3-10(17(19)20)8(7)4-5-13-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-6,13-14H,(H2,12,15);2-5H,1H3,(H,8,9,10)/b9-6-;