5-(4-methylpiperazin-4-ium-1-yl)-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-4-(phenylsulfonyl)-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-(benzenesulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole CAS Name: 4-(benzenesulfonyl)-5-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-yloxazole IUPAC Name: 4-(benzenesulfonyl)-5-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-besyl-5-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)oxazole Formula: C18H20N3O3S2+ MolecularWeight: 390.4997

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N3O3S2/c1-20-9-11-21(12-10-20)18-17(19-16(24-18)15-8-5-13-25-15)26(22,23)14-6-3-2-4-7-14/h2-8,13H,9-12H2,1H3/p+1