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

Systemtic Name: 2,6-ditert-butyl-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-ditert-butyl-phenol CAS Name: 2,6-ditert-butyl-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-ditert-butyl-phenol Formula: C27H40NO+ MolecularWeight: 394.6126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H39NO/c1-26(2,3)23-17-22(18-24(25(23)29)27(4,5)6)19-28-14-12-21(13-15-28)16-20-10-8-7-9-11-20/h7-11,17-18,21,29H,12-16,19H2,1-6H3/p+1