2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C18H19ClN3O3S+ MolecularWeight: 392.87976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClN3O3S/c19-14-5-1-4-8-17(14)26(23,24)22-11-9-21(10-12-22)13-18-20-15-6-2-3-7-16(15)25-18/h1-8H,9-13H2/p+1