1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium

Systemtic Name: 1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium Openeye Name: 1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium CAS Name: 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium IUPAC Name: 1-[2-(4-tert-butylphenyl)-2-octoxyethyl]pyridin-1-ium Traditional Name: 1-[2-(4-tert-butylphenyl)-2-octoxy-ethyl]pyridin-1-ium Formula: C25H38NO+ MolecularWeight: 368.57532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H38NO/c1-5-6-7-8-9-13-20-27-24(21-26-18-11-10-12-19-26)22-14-16-23(17-15-22)25(2,3)4/h10-12,14-19,24H,5-9,13,20-21H2,1-4H3/q+1