ethyl 1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-nitrophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-nitrobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-2-21-15(18)12-7-9-16(10-8-12)11-13-5-3-4-6-14(13)17(19)20/h3-6,12H,2,7-11H2,1H3/p+1