ethyl 4-(6-azanylpyridin-1-ium-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-azanylpyridin-1-ium-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-aminopyridin-1-ium-3-yl)piperazine-1-carboxylate CAS Name: 4-(6-amino-3-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-aminopyridin-1-ium-3-yl)piperazine-1-carboxylate Traditional Name: 4-(6-aminopyridin-1-ium-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C12H19N4O2+ MolecularWeight: 251.30486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O2/c1-2-18-12(17)16-7-5-15(6-8-16)10-3-4-11(13)14-9-10/h3-4,9H,2,5-8H2,1H3,(H2,13,14)/p+1