bis(azanyl)methylidene-[(3,4-dimethoxy-5-phenylmethoxy-phenyl)carbonylamino]azanium sulfate

Systemtic Name: bis(azanyl)methylidene-[(3,4-dimethoxy-5-phenylmethoxy-phenyl)carbonylamino]azanium sulfate Openeye Name: [(3-benzyloxy-4,5-dimethoxy-benzoyl)amino]-(diaminomethylene)ammonium sulfate CAS Name: diaminomethylidene-[[(3,4-dimethoxy-5-phenylmethoxyphenyl)-oxomethyl]amino]ammonium sulfate IUPAC Name: diaminomethylidene-[(3,4-dimethoxy-5-phenylmethoxybenzoyl)amino]azanium sulfate Traditional Name: [(3-benzoxy-4,5-dimethoxy-benzoyl)amino]-(diaminomethylene)ammonium sulfate Formula: C34H42N8O12S MolecularWeight: 786.80868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N[NH+]=C(N)N)OCC2=CC=CC=C2)OC.COC1=C(C(=CC(=C1)C(=O)N[NH+]=C(N)N)OCC2=CC=CC=C2)OC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N[NH+]=C(N)N)OCC2=CC=CC=C2)OC.COC1=C(C(=CC(=C1)C(=O)N[NH+]=C(N)N)OCC2=CC=CC=C2)OC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C17H20N4O4.H2O4S/c2*1-23-13-8-12(16(22)20-21-17(18)19)9-14(15(13)24-2)25-10-11-6-4-3-5-7-11;1-5(2,3)4/h2*3-9H,10H2,1-2H3,(H,20,22)(H4,18,19,21);(H2,1,2,3,4)