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

Systemtic Name: [6-(dimethylamino)-9-(5-piperidin-1-ylcarbothioylthiophen-2-yl)selenoxanthen-3-ylidene]-dimethyl-azanium Openeye Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)-2-thienyl]selenoxanthen-3-ylidene]-dimethyl-ammonium CAS Name: [6-(dimethylamino)-9-[5-[1-piperidinyl(sulfanylidene)methyl]-2-thiophenyl]-3-selenoxanthenylidene]-dimethylammonium IUPAC Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)thiophen-2-yl]selenoxanthen-3-ylidene]-dimethylazanium Traditional Name: [6-(dimethylamino)-9-[5-(piperidine-1-carbothioyl)-2-thienyl]selenoxanthen-3-ylidene]-dimethyl-ammonium Formula: C27H30N3S2Se+ MolecularWeight: 539.6372

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3[Se]2)C4=CC=C(S4)C(=S)N5CCCCC5

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3[Se]2)C4=CC=C(S4)C(=S)N5CCCCC5

InChI

InChI=1S/C27H30N3S2Se/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/h8-13,16-17H,5-7,14-15H2,1-4H3/q+1