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

Systemtic Name: (2S)-2-ethyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: (2S)-2-ethyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: (2S)-2-ethyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: (2S)-2-ethyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: (2S)-2-ethyl-1-(4-nitrobenzyl)piperidin-1-ium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-2-13-5-3-4-10-15(13)11-12-6-8-14(9-7-12)16(17)18/h6-9,13H,2-5,10-11H2,1H3/p+1/t13-/m0/s1