3-oxidanylidene-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-5H-1,3-thiazol-5-yl)-2-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)cyclobuten-1-olate

Systemtic Name: 3-oxidanylidene-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-5H-1,3-thiazol-5-yl)-2-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)cyclobuten-1-olate Openeye Name: 3-oxo-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-5H-thiazol-5-yl)-2-[4-phenyl-2-(1-piperidyl)thiazol-5-yl]cyclobuten-1-olate CAS Name: 3-oxo-4-[4-phenyl-2-(1-piperidin-1-iumylidene)-5H-thiazol-5-yl]-2-[4-phenyl-2-(1-piperidinyl)-5-thiazolyl]-1-cyclobutenolate IUPAC Name: 3-oxo-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-5H-1,3-thiazol-5-yl)-2-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)cyclobuten-1-olate Traditional Name: 3-keto-4-(4-phenyl-2-piperidin-1-ium-1-ylidene-3-thiazolin-5-yl)-2-(4-phenyl-2-piperidino-thiazol-5-yl)cyclobuten-1-olate Formula: C32H32N4O2S2 MolecularWeight: 568.75208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=C(S2)C3=C(C(C3=O)C4C(=NC(=[N+]5CCCCC5)S4)C6=CC=CC=C6)[O-])C7=CC=CC=C7

Isomeric SMILES

C1CCN(CC1)C2=NC(=C(S2)C3=C(C(C3=O)C4C(=NC(=[N+]5CCCCC5)S4)C6=CC=CC=C6)[O-])C7=CC=CC=C7

InChI

InChI=1S/C32H32N4O2S2/c37-27-23(29-25(21-13-5-1-6-14-21)33-31(39-29)35-17-9-3-10-18-35)28(38)24(27)30-26(22-15-7-2-8-16-22)34-32(40-30)36-19-11-4-12-20-36/h1-2,5-8,13-16,23,29H,3-4,9-12,17-20H2