[6-(dimethylamino)-9-(5-piperidin-1-ylcarbothioylthiophen-2-yl)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate

Systemtic Name: [6-(dimethylamino)-9-(5-piperidin-1-ylcarbothioylthiophen-2-yl)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)-2-thienyl]thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [6-(dimethylamino)-9-[5-[1-piperidinyl(sulfanylidene)methyl]-2-thiophenyl]-3-thioxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)thiophen-2-yl]thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)-2-thienyl]thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C27H30F6N3PS3 MolecularWeight: 637.70638

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=C(S4)C(=S)N5CCCCC5.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=C(S4)C(=S)N5CCCCC5.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C27H30N3S3.F6P/c1-28(2)18-8-10-20-24(16-18)33-25-17-19(29(3)4)9-11-21(25)26(20)22-12-13-23(32-22)27(31)30-14-6-5-7-15-30;1-7(2,3,4,5)6/h8-13,16-17H,5-7,14-15H2,1-4H3;/q+1;-1