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

Systemtic Name: 4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Openeye Name: 4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-oxazole CAS Name: 4-[[4-(3,4-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-2-phenyloxazole IUPAC Name: 4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole Traditional Name: 4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-2-phenyl-oxazole Formula: C21H22Cl2N3O3S+ MolecularWeight: 467.38868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O3S/c1-15-20(24-21(29-15)16-5-3-2-4-6-16)14-25-9-11-26(12-10-25)30(27,28)17-7-8-18(22)19(23)13-17/h2-8,13H,9-12,14H2,1H3/p+1