(1S,2R)-2-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[2-(2-piperidin-1-ium-1-ylethoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=CC=C2CNC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC=C2CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C22H32N2O4/c25-21(18-9-3-4-10-19(18)22(26)27)23-16-17-8-2-5-11-20(17)28-15-14-24-12-6-1-7-13-24/h2,5,8,11,18-19H,1,3-4,6-7,9-10,12-16H2,(H,23,25)(H,26,27)/t18-,19+/m1/s1