[(1S,2S)-2-[2-(4-chloranyl-3-nitro-phenyl)ethanoyloxy]cyclohexyl]methyl-dimethyl-azanium

Systemtic Name: [(1S,2S)-2-[2-(4-chloranyl-3-nitro-phenyl)ethanoyloxy]cyclohexyl]methyl-dimethyl-azanium Openeye Name: [(1S,2S)-2-[2-(4-chloro-3-nitro-phenyl)acetyl]oxycyclohexyl]methyl-dimethyl-ammonium CAS Name: [(1S,2S)-2-[2-(4-chloro-3-nitrophenyl)-1-oxoethoxy]cyclohexyl]methyl-dimethylammonium IUPAC Name: [(1S,2S)-2-[2-(4-chloro-3-nitrophenyl)acetyl]oxycyclohexyl]methyl-dimethylazanium Traditional Name: [(1S,2S)-2-[2-(4-chloro-3-nitro-phenyl)acetyl]oxycyclohexyl]methyl-dimethyl-ammonium Formula: C17H24ClN2O4+ MolecularWeight: 355.83646

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1CCCCC1OC(=O)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O4/c1-19(2)11-13-5-3-4-6-16(13)24-17(21)10-12-7-8-14(18)15(9-12)20(22)23/h7-9,13,16H,3-6,10-11H2,1-2H3/p+1/t13-,16-/m0/s1