ethyl 4-(3-nitropyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-nitropyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-nitropyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-nitropyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitropyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C12H17N4O4+ MolecularWeight: 281.28778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c1-2-20-12(17)15-8-6-14(7-9-15)11-10(16(18)19)4-3-5-13-11/h3-5H,2,6-9H2,1H3/p+1