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

Systemtic Name: 4-ethylsulfanyl-5-(4-methylphenyl)-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole bromide Openeye Name: 4-ethylsulfanyl-3-phenyl-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)thiazole bromide CAS Name: 4-(ethylthio)-5-(4-methylphenyl)-3-phenyl-2-(1-piperidin-1-iumylidene)thiazole bromide IUPAC Name: 4-ethylsulfanyl-5-(4-methylphenyl)-3-phenyl-2-piperidin-1-ium-1-ylidene-1,3-thiazole bromide Traditional Name: 4-(ethylthio)-3-phenyl-2-piperidin-1-ium-1-ylidene-5-(p-tolyl)-4-thiazoline bromide Formula: C23H27BrN2S2 MolecularWeight: 475.50788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N2S2.BrH/c1-3-26-22-21(19-14-12-18(2)13-15-19)27-23(24-16-8-5-9-17-24)25(22)20-10-6-4-7-11-20;/h4,6-7,10-15H,3,5,8-9,16-17H2,1-2H3;1H/q+1;/p-1