2,6-ditert-butyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-phenyl-(2-pyridin-1-iumylamino)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]phenol Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CC=C2)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=CC=C2)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C26H32N2O/c1-25(2,3)20-16-19(17-21(24(20)29)26(4,5)6)23(18-12-8-7-9-13-18)28-22-14-10-11-15-27-22/h7-17,23,29H,1-6H3,(H,27,28)/p+1/t23-/m0/s1