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

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Formula: C18H27N5O2S+2 MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-2-14-26(24,25)21-15-16-6-5-9-20-18(16)23-12-10-22(11-13-23)17-7-3-4-8-19-17/h3-9,21H,2,10-15H2,1H3/p+2