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

Systemtic Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-piperidin-1-ium-1-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-piperidin-1-ium-1-yl-methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(1-piperidin-1-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-piperidin-1-ium-1-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-piperidin-1-ium-1-yl-methyl]phenol Formula: C28H43N2O+ MolecularWeight: 423.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)N(C)C)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)N(C)C)[NH+]3CCCCC3

InChI

InChI=1S/C28H42N2O/c1-27(2,3)23-18-21(19-24(26(23)31)28(4,5)6)25(30-16-10-9-11-17-30)20-12-14-22(15-13-20)29(7)8/h12-15,18-19,25,31H,9-11,16-17H2,1-8H3/p+1