4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl-methyl-amino]methyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide

Systemtic Name: 4-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propyl-methyl-amino]methyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carboxamide Openeye Name: 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl-methyl-amino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide CAS Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl-methylamino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide IUPAC Name: 4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propyl-methylamino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide Traditional Name: 4-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propyl-methyl-amino]methyl]-2-oxido-furazan-2-ium-3-carboxamide Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCN(C)CC2=NO[N+](=C2C(=O)N)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCN(C)CC2=NO[N+](=C2C(=O)N)[O-]

InChI

InChI=1S/C22H34N4O4/c1-21(2,3)15-11-14(12-16(19(15)27)22(4,5)6)9-8-10-25(7)13-17-18(20(23)28)26(29)30-24-17/h11-12,27H,8-10,13H2,1-7H3,(H2,23,28)