2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide

Systemtic Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]ethanamide Openeye Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]acetamide IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxy-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]acetamide Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCCCS(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C24H32N4O5S/c1-24(2)17-19-7-5-8-20(23(19)33-24)32-18-22(29)26-11-6-16-34(30,31)28-14-12-27(13-15-28)21-9-3-4-10-25-21/h3-5,7-10H,6,11-18H2,1-2H3,(H,26,29)/p+1