1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Formula: C22H35N2O2+ MolecularWeight: 359.5255

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CNC2=[NH+]CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CNC2=[NH+]CCCCC2

InChI

InChI=1S/C22H34N2O2/c1-21(2,3)16-12-15(13-17(20(16)26)22(4,5)6)18(25)14-24-19-10-8-7-9-11-23-19/h12-13,26H,7-11,14H2,1-6H3,(H,23,24)/p+1