methyl (2R)-2-[[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]propanoate CAS Name: (2R)-2-[[[5-chloro-2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]amino]propanoate Traditional Name: (2R)-2-[[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]amino]propionic acid methyl ester Formula: C21H30ClN2O4+ MolecularWeight: 409.9269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=C(C=CC(=C1)Cl)OC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)C1=C(C=CC(=C1)Cl)OC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H29ClN2O4/c1-14(21(26)27-2)23-20(25)18-13-15(22)7-8-19(18)28-17-9-11-24(12-10-17)16-5-3-4-6-16/h7-8,13-14,16-17H,3-6,9-12H2,1-2H3,(H,23,25)/p+1/t14-/m1/s1