dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octyl-azanium

Systemtic Name: dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octyl-azanium Openeye Name: 2-[2-(4-isobutylphenyl)propanoyloxy]ethyl-dimethyl-octyl-ammonium CAS Name: dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]ethyl]-octylammonium IUPAC Name: dimethyl-[2-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]ethyl]-octylazanium Traditional Name: 2-[2-(4-isobutylphenyl)propanoyloxy]ethyl-dimethyl-octyl-ammonium Formula: C25H44NO2+ MolecularWeight: 390.62236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C

InChI

InChI=1S/C25H44NO2/c1-7-8-9-10-11-12-17-26(5,6)18-19-28-25(27)22(4)24-15-13-23(14-16-24)20-21(2)3/h13-16,21-22H,7-12,17-20H2,1-6H3/q+1