3,5-dimethyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C17H21N4O3S3+ MolecularWeight: 425.56864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C17H20N4O3S3/c1-12-16(13(2)24-19-12)27(22,23)21-6-4-20(5-7-21)9-15-11-26-17(18-15)14-3-8-25-10-14/h3,8,10-11H,4-7,9H2,1-2H3/p+1