1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-4-phenyl-piperazine

Systemtic Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-4-phenyl-piperazine Openeye Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-phenyl-piperazine CAS Name: 1-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-4-phenylpiperazine IUPAC Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-4-phenylpiperazine Traditional Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-4-phenyl-piperazine Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-22-9-15-25(16-10-22)28(26,27)19-7-8-20(21-17-19)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-8,17H,9-16H2,1H3/p+1