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

Systemtic Name: 4-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C17H23BrN3O4S+ MolecularWeight: 445.35122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrN3O4S/c1-12-17(13(2)25-19-12)26(22,23)21-8-6-20(7-9-21)11-14-10-15(18)4-5-16(14)24-3/h4-5,10H,6-9,11H2,1-3H3/p+1