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

Systemtic Name: 4-[4-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[4-[(4-bromo-2,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[4-[(4-bromo-2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[4-(4-bromo-2,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]sulfonyl-3,5-dimethyl-isoxazole Formula: C18H25BrN3O5S+ MolecularWeight: 475.3772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C18H24BrN3O5S/c1-12-18(13(2)27-20-12)28(23,24)22-7-5-21(6-8-22)11-14-9-17(26-4)15(19)10-16(14)25-3/h9-10H,5-8,11H2,1-4H3/p+1