1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]propyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[3-(2,4-ditert-amylphenoxy)propyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C28H45N3O+2 MolecularWeight: 439.6764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCC[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)C(C)(C)CC

InChI

InChI=1S/C28H43N3O/c1-7-27(3,4)23-13-14-25(24(22-23)28(5,6)8-2)32-21-11-16-30-17-19-31(20-18-30)26-12-9-10-15-29-26/h9-10,12-15,22H,7-8,11,16-21H2,1-6H3/p+2