2-(4-propan-2-ylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(4-propan-2-ylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(4-propan-2-ylphenoxy)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(4-propan-2-ylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]acetamide Formula: C22H31N4O4S+ MolecularWeight: 447.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H30N4O4S/c1-18(2)19-6-8-20(9-7-19)30-17-22(27)24-11-16-31(28,29)26-14-12-25(13-15-26)21-5-3-4-10-23-21/h3-10,18H,11-17H2,1-2H3,(H,24,27)/p+1