2-chloranyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-chloro-quinoline CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2-chloroquinoline IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2-chloroquinoline Traditional Name: 3-[(4-besylpiperazin-1-ium-1-yl)methyl]-2-chloro-quinoline Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=CC=CC=C3N=C2Cl)S(=O)(=O)C4=CC=CC=C4

InChI

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