2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol

Systemtic Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol Openeye Name: 2-[4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenol CAS Name: 2-[4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]phenol Traditional Name: 2-[4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazino]phenol Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C20H26N4O3S/c25-19-7-3-2-6-18(19)22-12-14-23(15-13-22)20-9-8-17(16-21-20)28(26,27)24-10-4-1-5-11-24/h2-3,6-9,16,25H,1,4-5,10-15H2/p+1