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

Systemtic Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-(1-pyrrolidin-1-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(4-dimethylaminophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol Formula: C27H41N2O+ MolecularWeight: 409.62724

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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+]3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=C(C=C2)N(C)C)[NH+]3CCCC3

InChI

InChI=1S/C27H40N2O/c1-26(2,3)22-17-20(18-23(25(22)30)27(4,5)6)24(29-15-9-10-16-29)19-11-13-21(14-12-19)28(7)8/h11-14,17-18,24,30H,9-10,15-16H2,1-8H3/p+1