1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methyl-pyridin-1-ium bromide

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methyl-pyridin-1-ium bromide Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-methyl-pyridin-1-ium bromide CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium bromide IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium bromide Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-methyl-pyridin-1-ium bromide Formula: C26H40BrNO MolecularWeight: 462.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC.[Br-]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2)C)C(C)(C)CC.[Br-]

InChI

InChI=1S/C26H40NO.BrH/c1-8-25(4,5)22-14-15-24(23(19-22)26(6,7)9-2)28-18-11-10-16-27-17-12-13-21(3)20-27;/h12-15,17,19-20H,8-11,16,18H2,1-7H3;1H/q+1;/p-1