(E)-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-methyl-N-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-methyl-N-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-methyl-N-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-N-methyl-2-phenyl-ethenesulfonamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c1-22(28(26,27)16-9-18-5-3-2-4-6-18)17-20(25)24-14-12-23(13-15-24)19-7-10-21-11-8-19/h2-11,16H,12-15,17H2,1H3/p+1/b16-9+