3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]propanoate

Systemtic Name: 3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]propanoate Openeye Name: 3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]propanoate CAS Name: 3-[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]propanoate IUPAC Name: 3-[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]propanoate Traditional Name: 3-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]propionate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCC(=O)[O-])OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCC(=O)[O-])OCCC[NH+](C)C

InChI

InChI=1S/C16H25NO4/c1-4-20-15-12-13(7-9-16(18)19)6-8-14(15)21-11-5-10-17(2)3/h6,8,12H,4-5,7,9-11H2,1-3H3,(H,18,19)