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

Systemtic Name: 2-ethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide Openeye Name: 2-ethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide CAS Name: 2-ethyl-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]butanamide IUPAC Name: 2-ethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]butanamide Traditional Name: 2-ethyl-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]butyramide Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CCC(CC)C(=O)NCCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C17H28N4O3S/c1-3-15(4-2)17(22)19-9-14-25(23,24)21-12-10-20(11-13-21)16-7-5-6-8-18-16/h5-8,15H,3-4,9-14H2,1-2H3,(H,19,22)/p+1