(4E)-4-(3,4-diphenyl-5-piperidin-1-ium-1-ylidene-thiophen-2-ylidene)-2-(3,4-diphenyl-5-piperidin-1-yl-thiophen-2-yl)-3-oxidanylidene-cyclobuten-1-olate

Systemtic Name: (4E)-4-(3,4-diphenyl-5-piperidin-1-ium-1-ylidene-thiophen-2-ylidene)-2-(3,4-diphenyl-5-piperidin-1-yl-thiophen-2-yl)-3-oxidanylidene-cyclobuten-1-olate Openeye Name: (4E)-4-(3,4-diphenyl-5-piperidin-1-ium-1-ylidene-2-thienylidene)-2-[3,4-diphenyl-5-(1-piperidyl)-2-thienyl]-3-oxo-cyclobuten-1-olate CAS Name: (4E)-4-[3,4-diphenyl-5-(1-piperidin-1-iumylidene)-2-thiophenylidene]-2-[3,4-diphenyl-5-(1-piperidinyl)-2-thiophenyl]-3-oxo-1-cyclobutenolate IUPAC Name: (4E)-4-(3,4-diphenyl-5-piperidin-1-ium-1-ylidenethiophen-2-ylidene)-2-(3,4-diphenyl-5-piperidin-1-ylthiophen-2-yl)-3-oxocyclobuten-1-olate Traditional Name: (4E)-4-(3,4-diphenyl-5-piperidin-1-ium-1-ylidene-2-thienylidene)-2-(3,4-diphenyl-5-piperidino-2-thienyl)-3-keto-cyclobuten-1-olate Formula: C46H40N2O2S2 MolecularWeight: 716.952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=C(S2)C3=C(C(=C4C(=C(C(=[N+]5CCCCC5)S4)C6=CC=CC=C6)C7=CC=CC=C7)C3=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1CCN(CC1)C2=C(C(=C(S2)C3=C(/C(=C\4/C(=C(C(=[N+]5CCCCC5)S4)C6=CC=CC=C6)C7=CC=CC=C7)/C3=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C46H40N2O2S2/c49-41-39(43-35(31-19-7-1-8-20-31)37(33-23-11-3-12-24-33)45(51-43)47-27-15-5-16-28-47)42(50)40(41)44-36(32-21-9-2-10-22-32)38(34-25-13-4-14-26-34)46(52-44)48-29-17-6-18-30-48/h1-4,7-14,19-26H,5-6,15-18,27-30H2