5-(4-chlorophenyl)-4-ethylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole bromide

Systemtic Name: 5-(4-chlorophenyl)-4-ethylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole bromide Openeye Name: 5-(4-chlorophenyl)-4-ethylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-thiazole bromide CAS Name: 5-(4-chlorophenyl)-4-(ethylthio)-3-phenyl-2-(1-piperidin-1-iumylidene)thiazole bromide IUPAC Name: 5-(4-chlorophenyl)-4-ethylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole bromide Traditional Name: 5-(4-chlorophenyl)-4-(ethylthio)-3-phenyl-2-piperidin-1-ium-1-ylidene-4-thiazoline bromide Formula: C22H24BrClN2S2 MolecularWeight: 495.92636

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

CCSC1=C(SC(=[N+]2CCCCC2)N1C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C22H24ClN2S2.BrH/c1-2-26-21-20(17-11-13-18(23)14-12-17)27-22(24-15-7-4-8-16-24)25(21)19-9-5-3-6-10-19;/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3;1H/q+1;/p-1