methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propanoate iodide

Systemtic Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propanoate iodide Openeye Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propanoate iodide CAS Name: 3-[3-[(1-ethyl-1-piperidin-1-iumyl)methyl]-4-methoxyphenyl]propanoic acid methyl ester iodide IUPAC Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxyphenyl]propanoate iodide Traditional Name: 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propionic acid methyl ester iodide Formula: C19H30INO3 MolecularWeight: 447.35087

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCCC1)CC2=C(C=CC(=C2)CCC(=O)OC)OC.[I-]

Isomeric SMILES

CC[N+]1(CCCCC1)CC2=C(C=CC(=C2)CCC(=O)OC)OC.[I-]

InChI

InChI=1S/C19H30NO3.HI/c1-4-20(12-6-5-7-13-20)15-17-14-16(8-10-18(17)22-2)9-11-19(21)23-3;/h8,10,14H,4-7,9,11-13,15H2,1-3H3;1H/q+1;/p-1