(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-homoveratryl-methyl-ammonium Formula: C26H40NO3+ MolecularWeight: 414.6007

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H39NO3/c1-25(2,3)20-14-19(15-21(24(20)28)26(4,5)6)17-27(7)13-12-18-10-11-22(29-8)23(16-18)30-9/h10-11,14-16,28H,12-13,17H2,1-9H3/p+1