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

Systemtic Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H24N6O2S/c25-27(26,24-9-2-1-3-10-24)16-5-6-17(21-15-16)22-11-13-23(14-12-22)18-19-7-4-8-20-18/h4-8,15H,1-3,9-14H2/p+1