(1S,2S)-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[4-(4-morpholin-4-iumylmethyl)anilino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohexanecarboxylate Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C19H26N2O4/c22-18(16-3-1-2-4-17(16)19(23)24)20-15-7-5-14(6-8-15)13-21-9-11-25-12-10-21/h5-8,16-17H,1-4,9-13H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1