ethyl (3R)-1-[(5-nitroindazol-1-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(5-nitroindazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(5-nitroindazol-1-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(5-nitro-1-indazolyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(5-nitroindazol-1-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(5-nitroindazol-1-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C16H20N4O4/c1-2-24-16(21)12-4-3-7-18(10-12)11-19-15-6-5-14(20(22)23)8-13(15)9-17-19/h5-6,8-9,12H,2-4,7,10-11H2,1H3/p+1/t12-/m1/s1