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

Systemtic Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]phenol Openeye Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]phenol CAS Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-methyl-1-piperazin-4-iumyl)methyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 2,6-ditert-butyl-4-[(S)-(4-dimethylaminophenyl)-(4-methylpiperazin-4-ium-1-yl)methyl]phenol Formula: C28H44N3O+ MolecularWeight: 438.66846

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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)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[C@H](C2=CC=C(C=C2)N(C)C)N3CC[NH+](CC3)C

InChI

InChI=1S/C28H43N3O/c1-27(2,3)23-18-21(19-24(26(23)32)28(4,5)6)25(31-16-14-30(9)15-17-31)20-10-12-22(13-11-20)29(7)8/h10-13,18-19,25,32H,14-17H2,1-9H3/p+1/t25-/m0/s1