3-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]propanoate

Systemtic Name: 3-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]propanoate Openeye Name: 3-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]propanoate CAS Name: 3-[3-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]propanoate IUPAC Name: 3-[3-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]propanoate Traditional Name: 3-[3-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]propionate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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