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

Systemtic Name: 3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Openeye Name: 3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide CAS Name: 3-phenyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]propanamide IUPAC Name: 3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Traditional Name: 3-phenyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]propionamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3S/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/h1-8,11H,9-10,12-17H2,(H,22,25)/p+1