4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C15H23N5O2+2 MolecularWeight: 305.37542

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C15H21N5O2/c21-14-11-18(6-5-17-14)12-15(22)20-9-7-19(8-10-20)13-3-1-2-4-16-13/h1-4H,5-12H2,(H,17,21)/p+2