4-[bis(azanyl)methylideneamino]butyl 3,5-dimethoxy-4-oxidanyl-benzoate hydrate hydrochloride

Systemtic Name: 4-[bis(azanyl)methylideneamino]butyl 3,5-dimethoxy-4-oxidanyl-benzoate hydrate hydrochloride Openeye Name: 4-guanidinobutyl 4-hydroxy-3,5-dimethoxy-benzoate hydrate hydrochloride CAS Name: 4-hydroxy-3,5-dimethoxybenzoic acid 4-(diaminomethylideneamino)butyl ester hydrate hydrochloride IUPAC Name: 4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate hydrate hydrochloride Traditional Name: 4-hydroxy-3,5-dimethoxy-benzoic acid 4-guanidinobutyl ester hydrate hydrochloride Formula: C14H24ClN3O6 MolecularWeight: 365.80986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.O.Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N.O.Cl

InChI

InChI=1S/C14H21N3O5.ClH.H2O/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);1H;1H2