N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-sulfonamide Formula: C15H28N4O3S+2 MolecularWeight: 344.47282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4O3S/c1-3-19(4-2)23(21,22)14-5-6-15(16-13-14)18-9-7-17(8-10-18)11-12-20/h5-6,13,20H,3-4,7-12H2,1-2H3/p+2