N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide

Systemtic Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide Openeye Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide CAS Name: N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]cyclopropanecarboxamide IUPAC Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]cyclopropanecarboxamide Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]cyclopropanecarboxamide Formula: C15H23N4O3S+ MolecularWeight: 339.43312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CC1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H22N4O3S/c20-15(13-4-5-13)17-7-12-23(21,22)19-10-8-18(9-11-19)14-3-1-2-6-16-14/h1-3,6,13H,4-5,7-12H2,(H,17,20)/p+1