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

Systemtic Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propanoate Openeye Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propanoate CAS Name: 3-[3-[(1-ethyl-1-piperidin-1-iumyl)methyl]-4-methoxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxyphenyl]propanoate Traditional Name: 3-[3-[(1-ethylpiperidin-1-ium-1-yl)methyl]-4-methoxy-phenyl]propionic acid methyl ester Formula: C19H30NO3+ MolecularWeight: 320.4464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NO3/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/q+1