N-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-methyl-2-(1-piperazin-4-iumyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-methyl-2-piperazin-4-ium-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxamide Formula: C11H18N4O+2 MolecularWeight: 222.28682

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C([NH+]=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

CNC(=O)C1=C([NH+]=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C11H16N4O/c1-12-11(16)9-3-2-4-14-10(9)15-7-5-13-6-8-15/h2-4,13H,5-8H2,1H3,(H,12,16)/p+2