3,5-dimethyl-4-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O3S/c1-14-17(15(2)23-18-14)12-19-8-10-20(11-9-19)24(21,22)13-16-6-4-3-5-7-16/h3-7H,8-13H2,1-2H3/p+1