3-(2-methoxyphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole

Systemtic Name: 3-(2-methoxyphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Openeye Name: 3-(2-methoxyphenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(2-methoxyphenyl)-5-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]isoxazole IUPAC Name: 3-(2-methoxyphenyl)-5-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,2-oxazole Traditional Name: 3-(2-methoxyphenyl)-5-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C19H22N3O4S2+ MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O4S2/c1-25-18-6-3-2-5-16(18)17-13-15(26-20-17)14-21-8-10-22(11-9-21)28(23,24)19-7-4-12-27-19/h2-7,12-13H,8-11,14H2,1H3/p+1