(1S,2R)-2-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[(1-propyl-4-piperidin-1-iumyl)amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[(1-propylpiperidin-1-ium-4-yl)carbamoyl]cyclohexanecarboxylate Formula: C16H28N2O3 MolecularWeight: 296.40512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C16H28N2O3/c1-2-9-18-10-7-12(8-11-18)17-15(19)13-5-3-4-6-14(13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21)/t13-,14+/m1/s1