(1S,2R)-2-[[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[2-(2-morpholin-4-ium-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[2-(2-morpholin-4-ium-4-ylethoxy)benzyl]carbamoyl]cyclohexanecarboxylate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=CC=C2OCC[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=CC=C2OCC[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C21H30N2O5/c24-20(17-6-2-3-7-18(17)21(25)26)22-15-16-5-1-4-8-19(16)28-14-11-23-9-12-27-13-10-23/h1,4-5,8,17-18H,2-3,6-7,9-15H2,(H,22,24)(H,25,26)/t17-,18+/m1/s1