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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-phenyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]phenol Formula: C33H46N3O+ MolecularWeight: 500.73784

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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=C4

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=C4

InChI

InChI=1S/C33H45N3O/c1-32(2,3)28-22-25(23-29(31(28)37)33(4,5)6)30(24-14-16-26(17-15-24)34(7)8)36-20-18-35(19-21-36)27-12-10-9-11-13-27/h9-17,22-23,30,37H,18-21H2,1-8H3/p+1/t30-/m0/s1