4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-benzoate

Systemtic Name: 4-[3-(dimethylazaniumyl)propoxy]-3-methoxy-benzoate Openeye Name: 4-[3-(dimethylammonio)propoxy]-3-methoxy-benzoate CAS Name: 4-[3-(dimethylammonio)propoxy]-3-methoxybenzoate IUPAC Name: 4-[3-(dimethylazaniumyl)propoxy]-3-methoxybenzoate Traditional Name: 4-[3-(dimethylammonio)propoxy]-3-methoxy-benzoate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-14(2)7-4-8-18-11-6-5-10(13(15)16)9-12(11)17-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)