[(1S,2S)-2-methylcyclohexyl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(1S,2S)-2-methylcyclohexyl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(1S,2S)-2-methylcyclohexyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(1S,2S)-2-methylcyclohexyl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(1S,2S)-2-methylcyclohexyl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(1S,2S)-2-methylcyclohexyl]-(3-nitrobenzyl)ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-11-5-2-3-8-14(11)15-10-12-6-4-7-13(9-12)16(17)18/h4,6-7,9,11,14-15H,2-3,5,8,10H2,1H3/p+1/t11-,14-/m0/s1