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

Systemtic Name: (1S,2R)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C21H30N2O4/c24-20(18-8-1-2-9-19(18)21(25)26)22-15-16-6-5-7-17(14-16)27-13-12-23-10-3-4-11-23/h5-7,14,18-19H,1-4,8-13,15H2,(H,22,24)(H,25,26)/t18-,19+/m1/s1