N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]methanesulfonamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]methanesulfonamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]methanesulfonamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]methanesulfonamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]methanesulfonamide Formula: C16H23N5O2S+2 MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H21N5O2S/c1-24(22,23)19-13-14-5-4-8-18-16(14)21-11-9-20(10-12-21)15-6-2-3-7-17-15/h2-8,19H,9-13H2,1H3/p+2