(1S,2R)-2-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[3-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[3-(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(=C2)CNC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=CC(=C2)CNC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C22H32N2O4/c25-21(19-9-2-3-10-20(19)22(26)27)23-16-17-7-6-8-18(15-17)28-14-13-24-11-4-1-5-12-24/h6-8,15,19-20H,1-5,9-14,16H2,(H,23,25)(H,26,27)/t19-,20+/m1/s1