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

Systemtic Name: 5-methyl-3-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 5-methyl-3-[[4-(4-propylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole Formula: C18H26N3O3S+ MolecularWeight: 364.48234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C

InChI

InChI=1S/C18H25N3O3S/c1-3-4-16-5-7-18(8-6-16)25(22,23)21-11-9-20(10-12-21)14-17-13-15(2)24-19-17/h5-8,13H,3-4,9-12,14H2,1-2H3/p+1