(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C22H40N2O+2 MolecularWeight: 348.5658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C22H38N2O/c1-21(2,3)18-13-16(14-19(20(18)25)22(4,5)6)15-24(8)17-9-11-23(7)12-10-17/h13-14,17,25H,9-12,15H2,1-8H3/p+2