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

Systemtic Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-pyridin-1-ium-3-carboxamide CAS Name: 6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-N-methyl-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methylpyridin-1-ium-3-carboxamide Traditional Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-N-methyl-pyridin-1-ium-3-carboxamide Formula: C13H22N4O2+2 MolecularWeight: 266.33938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O2/c1-14-13(19)11-2-3-12(15-10-11)17-6-4-16(5-7-17)8-9-18/h2-3,10,18H,4-9H2,1H3,(H,14,19)/p+2