3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]propanoate

Systemtic Name: 3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]propanoate Openeye Name: 3-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]propanoate CAS Name: 3-[2-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]propanoate IUPAC Name: 3-[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]propanoate Traditional Name: 3-[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]propionate Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)OC)CCC(=O)[O-]

InChI

InChI=1S/C15H23NO4/c1-16(2)9-4-10-20-14-11-13(19-3)7-5-12(14)6-8-15(17)18/h5,7,11H,4,6,8-10H2,1-3H3,(H,17,18)