8-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylquinoline Openeye Name: 8-(4-benzylpiperazin-4-ium-1-yl)sulfonylquinoline CAS Name: 8-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]quinoline IUPAC Name: 8-(4-benzylpiperazin-4-ium-1-yl)sulfonylquinoline Traditional Name: 8-(4-benzylpiperazin-4-ium-1-yl)sulfonylquinoline Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H21N3O2S/c24-26(25,19-10-4-8-18-9-5-11-21-20(18)19)23-14-12-22(13-15-23)16-17-6-2-1-3-7-17/h1-11H,12-16H2/p+1