2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol

Systemtic Name: 2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Openeye Name: 2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol CAS Name: 2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol IUPAC Name: 2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Traditional Name: 2,6-ditert-butyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenol Formula: C24H34NO+ MolecularWeight: 352.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H33NO/c1-23(2,3)20-13-17(14-21(22(20)26)24(4,5)6)15-25-12-11-18-9-7-8-10-19(18)16-25/h7-10,13-14,26H,11-12,15-16H2,1-6H3/p+1