methyl (4R)-4-[4-[5-methoxy-2-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4R)-4-[4-[5-methoxy-2-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4R)-4-[4-[5-methoxy-2-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate CAS Name: (4R)-4-[4-[5-methoxy-2-[(2-methoxyethylamino)-oxomethyl]phenoxy]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[4-[5-methoxy-2-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4R)-4-[4-[5-methoxy-2-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C22H35N2O6+ MolecularWeight: 423.5231

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)OC)C(=O)NCCOC

Isomeric SMILES

C[C@H](CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=CC(=C2)OC)C(=O)NCCOC

InChI

InChI=1S/C22H34N2O6/c1-16(5-8-21(25)29-4)24-12-9-17(10-13-24)30-20-15-18(28-3)6-7-19(20)22(26)23-11-14-27-2/h6-7,15-17H,5,8-14H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1