3-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]propanoate

Systemtic Name: 3-[5-bromanyl-2-[3-(dimethylazaniumyl)propoxy]-3-methoxy-phenyl]propanoate Openeye Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]propanoate CAS Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxyphenyl]propanoate IUPAC Name: 3-[5-bromo-2-[3-(dimethylazaniumyl)propoxy]-3-methoxyphenyl]propanoate Traditional Name: 3-[5-bromo-2-[3-(dimethylammonio)propoxy]-3-methoxy-phenyl]propionate Formula: C15H22BrNO4 MolecularWeight: 360.24348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1CCC(=O)[O-])Br)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1CCC(=O)[O-])Br)OC

InChI

InChI=1S/C15H22BrNO4/c1-17(2)7-4-8-21-15-11(5-6-14(18)19)9-12(16)10-13(15)20-3/h9-10H,4-8H2,1-3H3,(H,18,19)