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

Systemtic Name: (4E)-3-oxidanylidene-4-(5-piperidin-1-ium-1-ylidenethiophen-2-ylidene)-2-(1-piperidin-1-yl-2H-thiophen-3-yl)cyclobuten-1-olate Openeye Name: (4E)-3-oxo-4-(5-piperidin-1-ium-1-ylidene-2-thienylidene)-2-[1-(1-piperidyl)-2H-thiophen-3-yl]cyclobuten-1-olate CAS Name: (4E)-3-oxo-4-[5-(1-piperidin-1-iumylidene)-2-thiophenylidene]-2-[1-(1-piperidinyl)-2H-thiophen-3-yl]-1-cyclobutenolate IUPAC Name: (4E)-3-oxo-4-(5-piperidin-1-ium-1-ylidenethiophen-2-ylidene)-2-(1-piperidin-1-yl-2H-thiophen-3-yl)cyclobuten-1-olate Traditional Name: (4E)-3-keto-4-(5-piperidin-1-ium-1-ylidene-2-thienylidene)-2-(1-piperidino-2H-thiophen-3-yl)cyclobuten-1-olate Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2S2/c25-21-19(16-9-14-28(15-16)24-12-5-2-6-13-24)22(26)20(21)17-7-8-18(27-17)23-10-3-1-4-11-23/h7-9,14H,1-6,10-13,15H2