(2,3-dimethylphenyl)methyl-(1-ethoxyethoxy)-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (2,3-dimethylphenyl)methyl-(1-ethoxyethoxy)-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (2,3-dimethylphenyl)methyl-(1-ethoxyethoxy)-phenoxy-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (2,3-dimethylphenyl)methyl-(1-ethoxyethoxy)-phenoxy-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (2,3-dimethylphenyl)methyl-(1-ethoxyethoxy)-phenoxy-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (2,3-dimethylbenzyl)-(1-ethoxyethoxy)-phenoxy-(1,1,3,3-tetramethylbutyl)ammonium Formula: C27H42NO3+ MolecularWeight: 428.62728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)O[N+](CC1=CC=CC(=C1C)C)(C(C)(C)CC(C)(C)C)OC2=CC=CC=C2

Isomeric SMILES

CCOC(C)O[N+](CC1=CC=CC(=C1C)C)(C(C)(C)CC(C)(C)C)OC2=CC=CC=C2

InChI

InChI=1S/C27H42NO3/c1-10-29-23(4)30-28(27(8,9)20-26(5,6)7,31-25-17-12-11-13-18-25)19-24-16-14-15-21(2)22(24)3/h11-18,23H,10,19-20H2,1-9H3/q+1