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

Systemtic Name: 3,5-dimethyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S/c1-12-15(13(2)22-17-12)23(20,21)19-9-7-18(8-10-19)11-14-3-5-16-6-4-14/h3-6H,7-11H2,1-2H3/p+1