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

Systemtic Name: (1S,2R)-2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[oxo-[2-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethylamino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethylcarbamoyl]cyclohexanecarboxylate Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC(=CC=C2)OCC[NH+]3CCCC3)C(=O)[O-]

InChI

InChI=1S/C22H32N2O4/c25-21(19-8-1-2-9-20(19)22(26)27)23-11-10-17-6-5-7-18(16-17)28-15-14-24-12-3-4-13-24/h5-7,16,19-20H,1-4,8-15H2,(H,23,25)(H,26,27)/t19-,20+/m1/s1