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

Systemtic Name: 2-(4-chloranylphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(4-chlorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(4-chlorophenoxy)-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(4-chlorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(4-chlorophenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C20H26ClN4O4S+ MolecularWeight: 453.96284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)S(=O)(=O)CCCNC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN4O4S/c21-17-5-7-18(8-6-17)29-16-20(26)23-10-3-15-30(27,28)25-13-11-24(12-14-25)19-4-1-2-9-22-19/h1-2,4-9H,3,10-16H2,(H,23,26)/p+1