(1R,2R)-5-dibutylazaniumylidene-1-oxidanyl-2-(phenylcarbonyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,2R)-5-dibutylazaniumylidene-1-oxidanyl-2-(phenylcarbonyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1R,2R)-2-benzoyl-5-dibutyliminio-1-hydroxy-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2R)-2-benzoyl-5-dibutyliminio-1-hydroxy-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,2R)-2-benzoyl-5-dibutylazaniumylidene-1-hydroxycyclohex-3-ene-1-carboxylate Traditional Name: (1R,2R)-2-benzoyl-5-dibutyliminio-1-hydroxy-cyclohex-3-ene-1-carboxylate Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](=C1CC(C(C=C1)C(=O)C2=CC=CC=C2)(C(=O)[O-])O)CCCC

Isomeric SMILES

CCCC[N+](=C1C[C@@]([C@@H](C=C1)C(=O)C2=CC=CC=C2)(C(=O)[O-])O)CCCC

InChI

InChI=1S/C22H29NO4/c1-3-5-14-23(15-6-4-2)18-12-13-19(22(27,16-18)21(25)26)20(24)17-10-8-7-9-11-17/h7-13,19,27H,3-6,14-16H2,1-2H3/t19-,22+/m0/s1