8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline CAS Name: 8-[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylquinoline Traditional Name: 8-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]sulfonylquinoline Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20ClN3O2S/c21-18-8-2-1-5-17(18)15-23-11-13-24(14-12-23)27(25,26)19-9-3-6-16-7-4-10-22-20(16)19/h1-10H,11-15H2/p+1