1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-piperidinosulfonylpyridin-1-ium-2-yl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C20H29N5O2S+2 MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C20H27N5O2S/c26-28(27,25-10-2-1-3-11-25)19-4-5-20(22-16-19)24-14-12-23(13-15-24)17-18-6-8-21-9-7-18/h4-9,16H,1-3,10-15,17H2/p+2