(1S,6S)-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[4-(4-morpholin-4-iumylmethyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C19H24N2O4/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/h1-2,5-8,16-17H,3-4,9-13H2,(H,20,22)(H,23,24)/t16-,17-/m0/s1