(E)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-2-phenyl-ethenesulfonamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c25-20(24-15-13-23(14-16-24)19-8-4-5-11-21-19)9-12-22-28(26,27)17-10-18-6-2-1-3-7-18/h1-8,10-11,17,22H,9,12-16H2/p+1/b17-10+