1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylcarbonyl)azanium

Systemtic Name: 1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl-dimethyl-(phenylcarbonyl)azanium Openeye Name: benzoyl-[1-[1-(2,3-diisobutylphenoxy)ethoxy]ethyl]-dimethyl-ammonium CAS Name: benzoyl-[1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl]-dimethylammonium IUPAC Name: benzoyl-[1-[1-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethyl]-dimethylazanium Traditional Name: benzoyl-[1-[1-(2,3-diisobutylphenoxy)ethoxy]ethyl]-dimethyl-ammonium Formula: C27H40NO3+ MolecularWeight: 426.6114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=CC=C1)OC(C)OC(C)[N+](C)(C)C(=O)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CC(C)CC1=C(C(=CC=C1)OC(C)OC(C)[N+](C)(C)C(=O)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C27H40NO3/c1-19(2)17-24-15-12-16-26(25(24)18-20(3)4)31-22(6)30-21(5)28(7,8)27(29)23-13-10-9-11-14-23/h9-16,19-22H,17-18H2,1-8H3/q+1