2-phenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-phenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-phenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-phenyl-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-phenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-phenyl-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c25-20(17-18-7-2-1-3-8-18)22-11-6-16-28(26,27)24-14-12-23(13-15-24)19-9-4-5-10-21-19/h1-5,7-10H,6,11-17H2,(H,22,25)/p+1