1-azanyl-1-(3,4-dimethoxy-5-phenylmethoxy-phenyl)carbonyl-guanidine sulfate

Systemtic Name: 1-azanyl-1-(3,4-dimethoxy-5-phenylmethoxy-phenyl)carbonyl-guanidine sulfate Openeye Name: 1-amino-1-(3-benzyloxy-4,5-dimethoxy-benzoyl)guanidine sulfate CAS Name: 1-amino-1-[(3,4-dimethoxy-5-phenylmethoxyphenyl)-oxomethyl]guanidine sulfate IUPAC Name: 1-amino-1-(3,4-dimethoxy-5-phenylmethoxybenzoyl)guanidine sulfate Traditional Name: 1-amino-1-(3-benzoxy-4,5-dimethoxy-benzoyl)guanidine sulfate Formula: C34H40N8O12S-2 MolecularWeight: 784.7928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N(C(=N)N)N)OCC2=CC=CC=C2)OC.COC1=C(C(=CC(=C1)C(=O)N(C(=N)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)21(20)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,10,20H2,1-2H3,(H3,18,19);(H2,1,2,3,4)/p-2