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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C32H46N4O+2 MolecularWeight: 502.73384

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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=CC=[NH+]4

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=CC=[NH+]4

InChI

InChI=1S/C32H44N4O/c1-31(2,3)26-21-24(22-27(30(26)37)32(4,5)6)29(23-12-14-25(15-13-23)34(7)8)36-19-17-35(18-20-36)28-11-9-10-16-33-28/h9-16,21-22,29,37H,17-20H2,1-8H3/p+2/t29-/m0/s1