dimorpholin-4-yl-[(3Z)-3-(phenylmethylidene)-2-piperidin-1-ium-1-yl-cyclopenten-1-yl]-sulfanylidene-$l^{5}-phosphane

Systemtic Name: dimorpholin-4-yl-[(3Z)-3-(phenylmethylidene)-2-piperidin-1-ium-1-yl-cyclopenten-1-yl]-sulfanylidene-$l^{5}-phosphane Openeye Name: [(3Z)-3-benzylidene-2-piperidin-1-ium-1-yl-cyclopenten-1-yl]-dimorpholino-thioxo-$l^{5}-phosphane CAS Name: bis(4-morpholinyl)-[(3Z)-3-(phenylmethylene)-2-(1-piperidin-1-iumyl)-1-cyclopentenyl]-sulfanylidenephosphorane IUPAC Name: [(3Z)-3-benzylidene-2-piperidin-1-ium-1-ylcyclopenten-1-yl]-dimorpholin-4-yl-sulfanylidene-$l^{5}-phosphane Traditional Name: [(3Z)-3-benzal-2-piperidin-1-ium-1-yl-cyclopenten-1-yl]-dimorpholino-thioxo-phosphorane Formula: C25H37N3O2PS+ MolecularWeight: 474.618941

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=C(CCC2=CC3=CC=CC=C3)P(=S)(N4CCOCC4)N5CCOCC5

Isomeric SMILES

C1CC[NH+](CC1)C\2=C(CC/C2=C/C3=CC=CC=C3)P(=S)(N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C25H36N3O2PS/c32-31(27-13-17-29-18-14-27,28-15-19-30-20-16-28)24-10-9-23(21-22-7-3-1-4-8-22)25(24)26-11-5-2-6-12-26/h1,3-4,7-8,21H,2,5-6,9-20H2/p+1/b23-21-