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

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,3-dimethyl-pyridin-1-ium Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-2,3-dimethyl-pyridin-1-ium CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,3-dimethylpyridin-1-ium IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2,3-dimethylpyridin-1-ium Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-2,3-dimethyl-pyridin-1-ium Formula: C27H42NO+ MolecularWeight: 396.62848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2C)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC[N+]2=CC=CC(=C2C)C)C(C)(C)CC

InChI

InChI=1S/C27H42NO/c1-9-26(5,6)23-15-16-25(24(20-23)27(7,8)10-2)29-19-12-11-17-28-18-13-14-21(3)22(28)4/h13-16,18,20H,9-12,17,19H2,1-8H3/q+1