3-(4-chlorophenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline

Systemtic Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinoline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-quinoline CAS Name: 3-(4-chlorophenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]quinoline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonylquinoline Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-3-(4-chlorophenyl)sulfonyl-quinoline Formula: C26H25ClN3O2S+ MolecularWeight: 479.0136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=NC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C=NC4=CC=CC=C43)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H24ClN3O2S/c27-21-10-12-22(13-11-21)33(31,32)25-18-28-24-9-5-4-8-23(24)26(25)30-16-14-29(15-17-30)19-20-6-2-1-3-7-20/h1-13,18H,14-17,19H2/p+1