3-azaniumyl-3-(4-butoxyphenyl)propanoate

Systemtic Name: 3-azaniumyl-3-(4-butoxyphenyl)propanoate Openeye Name: 3-azaniumyl-3-(4-butoxyphenyl)propanoate CAS Name: 3-ammonio-3-(4-butoxyphenyl)propanoate IUPAC Name: 3-azaniumyl-3-(4-butoxyphenyl)propanoate Traditional Name: 3-ammonio-3-(4-butoxyphenyl)propionate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-2-3-8-17-11-6-4-10(5-7-11)12(14)9-13(15)16/h4-7,12H,2-3,8-9,14H2,1H3,(H,15,16)