sodium 4-[(Z)-[2-(azetidin-1-yl)cyclohexylidene]methyl]benzoic acid

Systemtic Name: sodium 4-[(Z)-[2-(azetidin-1-yl)cyclohexylidene]methyl]benzoic acid Openeye Name: sodium 4-[(Z)-[2-(azetidin-1-yl)cyclohexylidene]methyl]benzoic acid CAS Name: sodium 4-[(Z)-[2-(1-azetidinyl)cyclohexylidene]methyl]benzoic acid IUPAC Name: sodium 4-[(Z)-[2-(azetidin-1-yl)cyclohexylidene]methyl]benzoic acid Traditional Name: sodium 4-[(Z)-[2-(azetidin-1-yl)cyclohexylidene]methyl]benzoic acid Formula: C17H21NNaO2+ MolecularWeight: 294.34391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC2=CC=C(C=C2)C(=O)O)C(C1)N3CCC3.[Na+]

Isomeric SMILES

C1CC/C(=C/C2=CC=C(C=C2)C(=O)O)/C(C1)N3CCC3.[Na+]

InChI

InChI=1S/C17H21NO2.Na/c19-17(20)14-8-6-13(7-9-14)12-15-4-1-2-5-16(15)18-10-3-11-18;/h6-9,12,16H,1-5,10-11H2,(H,19,20);/q;+1/b15-12-;