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

Systemtic Name: 4-[4-[(5-bromanylthiophen-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[(5-bromo-3-thienyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(5-bromo-3-thiophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[(5-bromothiophen-3-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-[(5-bromo-3-thienyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C14H19BrN3O3S2+ MolecularWeight: 421.35296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=C3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC(=C3)Br

InChI

InChI=1S/C14H18BrN3O3S2/c1-10-14(11(2)21-16-10)23(19,20)18-5-3-17(4-6-18)8-12-7-13(15)22-9-12/h7,9H,3-6,8H2,1-2H3/p+1