(1R,2R)-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[oxo-[4-(1-piperidin-1-iumylmethyl)anilino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C20H28N2O3/c23-19(17-6-2-3-7-18(17)20(24)25)21-16-10-8-15(9-11-16)14-22-12-4-1-5-13-22/h8-11,17-18H,1-7,12-14H2,(H,21,23)(H,24,25)/t17-,18-/m1/s1