2-(4-methylphenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole

Systemtic Name: 2-(4-methylphenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Openeye Name: 4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-2-(p-tolyl)oxazole CAS Name: 2-(4-methylphenyl)-4-[[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(4-methylphenyl)-4-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Traditional Name: 4-[[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]methyl]-2-(p-tolyl)oxazole Formula: C21H25N4O3S2+ MolecularWeight: 445.5782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H24N4O3S2/c1-16-3-5-17(6-4-16)21-23-18(14-28-21)15-29-20-8-7-19(13-22-20)30(26,27)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12,15H2,1-2H3/p+1