1-(3-chlorophenyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-4-yl]piperazine

Systemtic Name: 1-(3-chlorophenyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-4-yl]piperazine Openeye Name: 1-(3-chlorophenyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-4-yl]piperazine CAS Name: 1-(3-chlorophenyl)-4-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-4-pyridin-1-iumyl]piperazine IUPAC Name: 1-(3-chlorophenyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-4-yl]piperazine Traditional Name: 1-(3-chlorophenyl)-4-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-1-ium-4-yl]piperazine Formula: C20H28ClN5O2S+2 MolecularWeight: 437.98662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H26ClN5O2S/c1-23-7-13-26(14-8-23)29(27,28)20-16-22-6-5-19(20)25-11-9-24(10-12-25)18-4-2-3-17(21)15-18/h2-6,15-16H,7-14H2,1H3/p+2