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

Systemtic Name: bis(azanyl)methylidene-[4-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyloxybutyl]azanium Openeye Name: diaminomethylene-[4-(4-hydroxy-3,5-dimethoxy-benzoyl)oxybutyl]ammonium CAS Name: diaminomethylidene-[4-[(4-hydroxy-3,5-dimethoxyphenyl)-oxomethoxy]butyl]ammonium IUPAC Name: diaminomethylidene-[4-(4-hydroxy-3,5-dimethoxybenzoyl)oxybutyl]azanium Traditional Name: diaminomethylene(4-syringoyloxybutyl)ammonium Formula: C14H22N3O5+ MolecularWeight: 312.34158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)/p+1