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

Systemtic Name: methyl (4R)-4-[4-[2-chloranyl-4-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4R)-4-[4-[2-chloro-4-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate CAS Name: (4R)-4-[4-[2-chloro-4-[(2-methoxyethylamino)-oxomethyl]phenoxy]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[4-[2-chloro-4-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4R)-4-[4-[2-chloro-4-(2-methoxyethylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C21H32ClN2O5+ MolecularWeight: 427.94218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN2O5/c1-15(4-7-20(25)28-3)24-11-8-17(9-12-24)29-19-6-5-16(14-18(19)22)21(26)23-10-13-27-2/h5-6,14-15,17H,4,7-13H2,1-3H3,(H,23,26)/p+1/t15-/m1/s1