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

Systemtic Name: 3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C14H20N3O3S2+ MolecularWeight: 342.4569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C14H19N3O3S2/c1-11-14(12(2)20-15-11)22(18,19)17-7-5-16(6-8-17)10-13-4-3-9-21-13/h3-4,9H,5-8,10H2,1-2H3/p+1