N-[1-(2-methoxyphenyl)-4-(3-oxidanylidenepropyl)piperazin-1-ium-1-yl]sulfonylethanamide

Systemtic Name: N-[1-(2-methoxyphenyl)-4-(3-oxidanylidenepropyl)piperazin-1-ium-1-yl]sulfonylethanamide Openeye Name: N-[1-(2-methoxyphenyl)-4-(3-oxopropyl)piperazin-1-ium-1-yl]sulfonylacetamide CAS Name: N-[[1-(2-methoxyphenyl)-4-(3-oxopropyl)-1-piperazin-1-iumyl]sulfonyl]acetamide IUPAC Name: N-[1-(2-methoxyphenyl)-4-(3-oxopropyl)piperazin-1-ium-1-yl]sulfonylacetamide Traditional Name: N-[4-(3-ketopropyl)-1-(2-methoxyphenyl)piperazin-1-ium-1-yl]sulfonylacetamide Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)[N+]1(CCN(CC1)CCC=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(=O)NS(=O)(=O)[N+]1(CCN(CC1)CCC=O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H23N3O5S/c1-14(21)17-25(22,23)19(15-6-3-4-7-16(15)24-2)11-9-18(10-12-19)8-5-13-20/h3-4,6-7,13H,5,8-12H2,1-2H3/p+1