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

Systemtic Name: 3,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]sulfonyl-isoxazole Formula: C17H24N3O3S+ MolecularWeight: 350.45576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-13-17(15(3)23-18-13)24(21,22)20-11-9-19(10-12-20)14(2)16-7-5-4-6-8-16/h4-8,14H,9-12H2,1-3H3/p+1/t14-/m1/s1