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

Systemtic Name: (2S)-2-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium Openeye Name: (2S)-2-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium CAS Name: (2S)-2-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium IUPAC Name: (2S)-2-methyl-1-[(4-nitrophenyl)methyl]piperidin-1-ium Traditional Name: (2S)-2-methyl-1-(4-nitrobenzyl)piperidin-1-ium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-11-4-2-3-9-14(11)10-12-5-7-13(8-6-12)15(16)17/h5-8,11H,2-4,9-10H2,1H3/p+1/t11-/m0/s1