bis(azanyl)methylidene-[4-(3,4,5-trimethoxyphenyl)carbonyloxybutyl]azanium sulfate

Systemtic Name: bis(azanyl)methylidene-[4-(3,4,5-trimethoxyphenyl)carbonyloxybutyl]azanium sulfate Openeye Name: diaminomethylene-[4-(3,4,5-trimethoxybenzoyl)oxybutyl]ammonium sulfate CAS Name: diaminomethylidene-[4-[oxo-(3,4,5-trimethoxyphenyl)methoxy]butyl]ammonium sulfate IUPAC Name: diaminomethylidene-[4-(3,4,5-trimethoxybenzoyl)oxybutyl]azanium sulfate Traditional Name: diaminomethylene-[4-(3,4,5-trimethoxybenzoyl)oxybutyl]ammonium sulfate Formula: C30H48N6O14S MolecularWeight: 748.79892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC[NH+]=C(N)N.COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC[NH+]=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C15H23N3O5.H2O4S/c2*1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17;1-5(2,3)4/h2*8-9H,4-7H2,1-3H3,(H4,16,17,18);(H2,1,2,3,4)