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

Systemtic Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-propan-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-isopropyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-propan-2-yl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-propan-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-isopropyl-pyridin-1-ium-3-sulfonamide Formula: C14H26N4O3S+2 MolecularWeight: 330.44624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O3S/c1-12(2)16-22(20,21)13-3-4-14(15-11-13)18-7-5-17(6-8-18)9-10-19/h3-4,11-12,16,19H,5-10H2,1-2H3/p+2