(4-ethylpiperazin-4-ium-1-yl)-(1-oxidanidylpyridin-1-ium-4-yl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(1-oxidanidylpyridin-1-ium-4-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(1-oxidopyridin-1-ium-4-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(1-oxido-4-pyridin-1-iumyl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(1-oxidopyridin-1-ium-4-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(1-oxidopyridin-1-ium-4-yl)methanone Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C12H17N3O2/c1-2-13-7-9-14(10-8-13)12(16)11-3-5-15(17)6-4-11/h3-6H,2,7-10H2,1H3/p+1