[(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: [(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: [(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: [(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: [(1R,2S)-2-methylcyclohexyl]-[(1S)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-11-6-4-5-7-15(11)17-13(3)14-9-8-12(2)16(10-14)18(19)20/h8-11,13,15,17H,4-7H2,1-3H3/p+1/t11-,13-,15+/m0/s1