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

Systemtic Name: 2-(3-methoxyphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-(3-methoxyphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-(3-methoxyphenoxy)-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-(3-methoxyphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(3-methoxyphenoxy)-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C21H29N4O5S+ MolecularWeight: 449.54376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

COC1=CC(=CC=C1)OCC(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H28N4O5S/c1-29-18-6-4-7-19(16-18)30-17-21(26)23-10-5-15-31(27,28)25-13-11-24(12-14-25)20-8-2-3-9-22-20/h2-4,6-9,16H,5,10-15,17H2,1H3,(H,23,26)/p+1