4-[[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole

Systemtic Name: 4-[[4-(5-chloranylpyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole Openeye Name: 4-[[4-(5-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)oxazole CAS Name: 4-[[4-(5-chloro-2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-[4-(methylthio)phenyl]oxazole IUPAC Name: 4-[[4-(5-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole Traditional Name: 4-[[4-(5-chloropyridin-1-ium-2-yl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-[4-(methylthio)phenyl]oxazole Formula: C21H25ClN4OS+2 MolecularWeight: 416.9674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)SC)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4OS/c1-15-19(24-21(27-15)16-3-6-18(28-2)7-4-16)14-25-9-11-26(12-10-25)20-8-5-17(22)13-23-20/h3-8,13H,9-12,14H2,1-2H3/p+2