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

Systemtic Name: 2-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Openeye Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-5-phenyloxazole IUPAC Name: 2-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-phenyl-1,3-oxazole Traditional Name: 2-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-5-phenyl-oxazole Formula: C18H19ClN3O3S2+ MolecularWeight: 424.94476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H18ClN3O3S2/c19-16-6-7-18(26-16)27(23,24)22-10-8-21(9-11-22)13-17-20-12-15(25-17)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2/p+1