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

Systemtic Name: 3-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NOC(=C3)C)OCC

InChI

InChI=1S/C19H27N3O5S/c1-4-25-18-7-6-17(13-19(18)26-5-2)28(23,24)22-10-8-21(9-11-22)14-16-12-15(3)27-20-16/h6-7,12-13H,4-5,8-11,14H2,1-3H3/p+1