bis(azanyl)methylidene-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyloxypropyl]azanium

Systemtic Name: bis(azanyl)methylidene-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyloxypropyl]azanium Openeye Name: diaminomethylene-[3-(4-hydroxy-3,5-dimethoxy-benzoyl)oxypropyl]ammonium CAS Name: diaminomethylidene-[3-[(4-hydroxy-3,5-dimethoxyphenyl)-oxomethoxy]propyl]ammonium IUPAC Name: diaminomethylidene-[3-(4-hydroxy-3,5-dimethoxybenzoyl)oxypropyl]azanium Traditional Name: diaminomethylene(3-syringoyloxypropyl)ammonium Formula: C13H20N3O5+ MolecularWeight: 298.315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)OCCC[NH+]=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OCCC[NH+]=C(N)N

InChI

InChI=1S/C13H19N3O5/c1-19-9-6-8(7-10(20-2)11(9)17)12(18)21-5-3-4-16-13(14)15/h6-7,17H,3-5H2,1-2H3,(H4,14,15,16)/p+1