2-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenol Openeye Name: 2-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazin-1-yl]phenol CAS Name: 2-[4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]piperazin-1-yl]phenol Traditional Name: 2-[4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]piperazino]phenol Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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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=C4O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H27N5O3S/c1-22-8-14-25(15-9-22)29(27,28)17-6-7-20(21-16-17)24-12-10-23(11-13-24)18-4-2-3-5-19(18)26/h2-7,16,26H,8-15H2,1H3/p+1