2-[4-[4-[[butyl(methyl)azaniumyl]methyl]-2-ethyl-2-methyl-hexyl]phenyl]propanoate

Systemtic Name: 2-[4-[4-[[butyl(methyl)azaniumyl]methyl]-2-ethyl-2-methyl-hexyl]phenyl]propanoate Openeye Name: 2-[4-[4-[[butyl(methyl)ammonio]methyl]-2-ethyl-2-methyl-hexyl]phenyl]propanoate CAS Name: 2-[4-[4-[[butyl(methyl)ammonio]methyl]-2-ethyl-2-methylhexyl]phenyl]propanoate IUPAC Name: 2-[4-[4-[[butyl(methyl)azaniumyl]methyl]-2-ethyl-2-methylhexyl]phenyl]propanoate Traditional Name: 2-[4-[4-[[butyl(methyl)ammonio]methyl]-2-ethyl-2-methyl-hexyl]phenyl]propionate Formula: C24H41NO2 MolecularWeight: 375.58784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(CC)CC(C)(CC)CC1=CC=C(C=C1)C(C)C(=O)[O-]

Isomeric SMILES

CCCC[NH+](C)CC(CC)CC(C)(CC)CC1=CC=C(C=C1)C(C)C(=O)[O-]

InChI

InChI=1S/C24H41NO2/c1-7-10-15-25(6)18-20(8-2)16-24(5,9-3)17-21-11-13-22(14-12-21)19(4)23(26)27/h11-14,19-20H,7-10,15-18H2,1-6H3,(H,26,27)