1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium chloride Openeye Name: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium chloride CAS Name: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium chloride IUPAC Name: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium chloride Traditional Name: 1-(3-chlorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium chloride Formula: C17H20Cl2N2O3S MolecularWeight: 403.3233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=CC=C3)Cl.[Cl-]

InChI

InChI=1S/C17H19ClN2O3S.ClH/c1-23-16-5-7-17(8-6-16)24(21,22)20-11-9-19(10-12-20)15-4-2-3-14(18)13-15;/h2-8,13H,9-12H2,1H3;1H