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

Systemtic Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Openeye Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide CAS Name: N-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-2-propene-1-sulfonamide IUPAC Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Traditional Name: N-[[2-(4-pyridin-1-ium-2-ylpiperazino)pyridin-1-ium-3-yl]methyl]prop-2-ene-1-sulfonamide Formula: C18H25N5O2S+2 MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/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/h2-9,21H,1,10-15H2/p+2