1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-[2,4-bis(1,1-dimethylpropyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol chloride IUPAC Name: 1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-(2,4-ditert-amylphenoxy)-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Formula: C29H45ClN2O2 MolecularWeight: 489.1328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)(C)CC.[Cl-]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)C(C)(C)CC.[Cl-]

InChI

InChI=1S/C29H44N2O2.ClH/c1-7-28(3,4)23-14-15-27(26(20-23)29(5,6)8-2)33-22-25(32)21-30-16-18-31(19-17-30)24-12-10-9-11-13-24;/h9-15,20,25,32H,7-8,16-19,21-22H2,1-6H3;1H