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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-(1-pyrrolidin-1-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-ylmethyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-chlorophenyl)-pyrrolidin-1-ium-1-yl-methyl]phenol Formula: C25H35ClNO+ MolecularWeight: 401.0045

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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)Cl)[NH+]3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=C(C=C2)Cl)[NH+]3CCCC3

InChI

InChI=1S/C25H34ClNO/c1-24(2,3)20-15-18(16-21(23(20)28)25(4,5)6)22(27-13-7-8-14-27)17-9-11-19(26)12-10-17/h9-12,15-16,22,28H,7-8,13-14H2,1-6H3/p+1/t22-/m0/s1