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

Systemtic Name: 3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Openeye Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-5-(2-furanyl)isoxazole IUPAC Name: 3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole Traditional Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-(2-furyl)isoxazole Formula: C16H17ClN3O4S2+ MolecularWeight: 414.90688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C16H16ClN3O4S2/c17-15-3-4-16(25-15)26(21,22)20-7-5-19(6-8-20)11-12-10-14(24-18-12)13-2-1-9-23-13/h1-4,9-10H,5-8,11H2/p+1