dibutyl-[(4R,5R)-5-carboxy-5-oxidanyl-4-(phenylcarbonyl)cyclohex-2-en-1-ylidene]azanium

Systemtic Name: dibutyl-[(4R,5R)-5-carboxy-5-oxidanyl-4-(phenylcarbonyl)cyclohex-2-en-1-ylidene]azanium Openeye Name: [(4R,5R)-4-benzoyl-5-carboxy-5-hydroxy-cyclohex-2-en-1-ylidene]-dibutyl-ammonium CAS Name: [(4R,5R)-4-benzoyl-5-carboxy-5-hydroxy-1-cyclohex-2-enylidene]-dibutylammonium IUPAC Name: [(4R,5R)-4-benzoyl-5-carboxy-5-hydroxycyclohex-2-en-1-ylidene]-dibutylazanium Traditional Name: [(4R,5R)-4-benzoyl-5-carboxy-5-hydroxy-cyclohex-2-en-1-ylidene]-dibutyl-ammonium Formula: C22H30NO4+ MolecularWeight: 372.4779

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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/p+1/t19-,22+/m0/s1