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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C33H45FN3O+ MolecularWeight: 518.728303

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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+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=C(C=C2)N(C)C)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C33H44FN3O/c1-32(2,3)28-21-24(22-29(31(28)38)33(4,5)6)30(23-9-13-26(14-10-23)35(7)8)37-19-17-36(18-20-37)27-15-11-25(34)12-16-27/h9-16,21-22,30,38H,17-20H2,1-8H3/p+1/t30-/m0/s1