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

Systemtic Name: 2-[4-[2-ethyl-2,4-dimethyl-5-[methyl(propyl)azaniumyl]pentyl]phenyl]propanoate Openeye Name: 2-[4-[2-ethyl-2,4-dimethyl-5-[methyl(propyl)ammonio]pentyl]phenyl]propanoate CAS Name: 2-[4-[2-ethyl-2,4-dimethyl-5-[methyl(propyl)ammonio]pentyl]phenyl]propanoate IUPAC Name: 2-[4-[2-ethyl-2,4-dimethyl-5-[methyl(propyl)azaniumyl]pentyl]phenyl]propanoate Traditional Name: 2-[4-[2-ethyl-2,4-dimethyl-5-[methyl(propyl)ammonio]pentyl]phenyl]propionate Formula: C22H37NO2 MolecularWeight: 347.53468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO2/c1-7-13-23(6)16-17(3)14-22(5,8-2)15-19-9-11-20(12-10-19)18(4)21(24)25/h9-12,17-18H,7-8,13-16H2,1-6H3,(H,24,25)