2-[4-[2-ethyl-5-[ethyl(methyl)azaniumyl]-2-methyl-pentyl]phenyl]propanoate

Systemtic Name: 2-[4-[2-ethyl-5-[ethyl(methyl)azaniumyl]-2-methyl-pentyl]phenyl]propanoate Openeye Name: 2-[4-[2-ethyl-5-[ethyl(methyl)ammonio]-2-methyl-pentyl]phenyl]propanoate CAS Name: 2-[4-[2-ethyl-5-[ethyl(methyl)ammonio]-2-methylpentyl]phenyl]propanoate IUPAC Name: 2-[4-[2-ethyl-5-[ethyl(methyl)azaniumyl]-2-methylpentyl]phenyl]propanoate Traditional Name: 2-[4-[2-ethyl-5-[ethyl(methyl)ammonio]-2-methyl-pentyl]phenyl]propionate Formula: C20H33NO2 MolecularWeight: 319.48152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO2/c1-6-20(4,13-8-14-21(5)7-2)15-17-9-11-18(12-10-17)16(3)19(22)23/h9-12,16H,6-8,13-15H2,1-5H3,(H,22,23)