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

Systemtic Name: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-(1-piperidin-1-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-piperidin-1-ium-1-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-methoxyphenyl)-piperidin-1-ium-1-yl-methyl]phenol Formula: C27H40NO2+ MolecularWeight: 410.612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-26(2,3)22-17-20(18-23(25(22)29)27(4,5)6)24(28-15-9-8-10-16-28)19-11-13-21(30-7)14-12-19/h11-14,17-18,24,29H,8-10,15-16H2,1-7H3/p+1