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ethyl 1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylate

ethyl 1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name:ethyl 1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
Openeye Name:ethyl 1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
CAS Name:1-[(6-nitro-1-indazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC Name:ethyl 1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylate
Traditional Name:1-[(6-nitroindazol-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester
Formula: C16H21N4O4+
MolecularWeight: 333.36234
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2


Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2


InChI

InChI=1S/C16H20N4O4/c1-2-24-16(21)12-5-7-18(8-6-12)11-19-15-9-14(20(22)23)4-3-13(15)10-17-19/h3-4,9-10,12H,2,5-8,11H2,1H3/p+1


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