methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C12H20N4O+2 MolecularWeight: 236.3134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[NH2+]CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H18N4O/c1-13-10-12(17)16-8-6-15(7-9-16)11-4-2-3-5-14-11/h2-5,13H,6-10H2,1H3/p+2