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

Systemtic Name: 5-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Openeye Name: 5-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole CAS Name: 5-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-phenylisoxazole IUPAC Name: 5-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-1,2-oxazole Traditional Name: 5-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-phenyl-isoxazole Formula: C20H20Cl2N3O3S+ MolecularWeight: 453.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c21-18-7-6-17(13-19(18)22)29(26,27)25-10-8-24(9-11-25)14-16-12-20(23-28-16)15-4-2-1-3-5-15/h1-7,12-13H,8-11,14H2/p+1