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

Systemtic Name: 3,5-dimethyl-4-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[[5-(2-thienyl)isoxazol-3-yl]methyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C17H21N4O4S2+ MolecularWeight: 409.50304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H20N4O4S2/c1-12-17(13(2)24-18-12)27(22,23)21-7-5-20(6-8-21)11-14-10-15(25-19-14)16-4-3-9-26-16/h3-4,9-10H,5-8,11H2,1-2H3/p+1