(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-phenethyl-ammonium CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-phenethylazanium Traditional Name: benzyl-(3,5-ditert-butyl-4-hydroxy-benzyl)-phenethyl-ammonium Formula: C30H40NO+ MolecularWeight: 430.6447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C30H39NO/c1-29(2,3)26-19-25(20-27(28(26)32)30(4,5)6)22-31(21-24-15-11-8-12-16-24)18-17-23-13-9-7-10-14-23/h7-16,19-20,32H,17-18,21-22H2,1-6H3/p+1