[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium

Systemtic Name: [3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium Openeye Name: [3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]ammonium CAS Name: [3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]ammonium IUPAC Name: [3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]azanium Traditional Name: [3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]ammonium Formula: C12H20N4O+2 MolecularWeight: 236.3134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC[NH3+]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC[NH3+]

InChI

InChI=1S/C12H18N4O/c13-5-4-12(17)16-9-7-15(8-10-16)11-3-1-2-6-14-11/h1-3,6H,4-5,7-10,13H2/p+2