2,6-ditert-butyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenol Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C24H35N3O/c1-23(2,3)19-15-18(16-20(22(19)28)24(4,5)6)17-26-11-13-27(14-12-26)21-9-7-8-10-25-21/h7-10,15-16,28H,11-14,17H2,1-6H3/p+1