N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C13H24N4O3S+2 MolecularWeight: 316.41966

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=C([NH+]=CC=C1)N2CC[NH+](CC2)CCO

Isomeric SMILES

CCNS(=O)(=O)C1=C([NH+]=CC=C1)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C13H22N4O3S/c1-2-15-21(19,20)12-4-3-5-14-13(12)17-8-6-16(7-9-17)10-11-18/h3-5,15,18H,2,6-11H2,1H3/p+2