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

Systemtic Name: 3,5-dimethyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1,2-oxazole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]isoxazole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-1,2-oxazole Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-3,5-dimethyl-isoxazole Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-13-16(14(2)22-17-13)23(20,21)19-10-8-18(9-11-19)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3/p+1