methyl N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]carbamate

Systemtic Name: methyl N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]carbamate Openeye Name: methyl N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]carbamate CAS Name: N-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]carbamate Traditional Name: N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]carbamic acid methyl ester Formula: C13H20N4O3+2 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

COC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H18N4O3/c1-20-13(19)15-12(18)10-16-6-8-17(9-7-16)11-4-2-3-5-14-11/h2-5H,6-10H2,1H3,(H,15,18,19)/p+2