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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methyl-pyridin-1-ium Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-methyl-pyridin-1-ium CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-methylpyridin-1-ium Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-methyl-pyridin-1-ium Formula: C26H40NO+ MolecularWeight: 382.6019

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H40NO/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/q+1