(Z)-3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide

Systemtic Name: (Z)-3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide Openeye Name: (Z)-3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide CAS Name: (Z)-3-phenyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]-2-propenamide IUPAC Name: (Z)-3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]prop-2-enamide Traditional Name: (Z)-3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]acrylamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)/C=C\C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S/c25-20(10-9-18-6-2-1-3-7-18)22-12-17-28(26,27)24-15-13-23(14-16-24)19-8-4-5-11-21-19/h1-11H,12-17H2,(H,22,25)/p+1/b10-9-