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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (3,5-ditert-butyl-4-hydroxy-benzyl)-homoveratryl-ammonium Formula: C25H38NO3+ MolecularWeight: 400.57412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H37NO3/c1-24(2,3)19-13-18(14-20(23(19)27)25(4,5)6)16-26-12-11-17-9-10-21(28-7)22(15-17)29-8/h9-10,13-15,26-27H,11-12,16H2,1-8H3/p+1