(3S)-3-azaniumyl-3-(4-butoxyphenyl)butanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-butoxyphenyl)butanoate Openeye Name: (3S)-3-azaniumyl-3-(4-butoxyphenyl)butanoate CAS Name: (3S)-3-ammonio-3-(4-butoxyphenyl)butanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-butoxyphenyl)butanoate Traditional Name: (3S)-3-ammonio-3-(4-butoxyphenyl)butyrate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C)(CC(=O)[O-])[NH3+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](C)(CC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H21NO3/c1-3-4-9-18-12-7-5-11(6-8-12)14(2,15)10-13(16)17/h5-8H,3-4,9-10,15H2,1-2H3,(H,16,17)/t14-/m0/s1