[(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(3-chloranyl-5-nitro-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(3-chloro-5-nitrophenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(3-chloro-5-nitro-phenyl)-2-methyl-pentyl]ammonium Formula: C12H18ClN2O2+ MolecularWeight: 257.73652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=CC(=CC(=C1)Cl)[N+](=O)[O-])[NH3+]

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=CC(=CC(=C1)Cl)[N+](=O)[O-])[NH3+]

InChI

InChI=1S/C12H17ClN2O2/c1-3-4-8(2)12(14)9-5-10(13)7-11(6-9)15(16)17/h5-8,12H,3-4,14H2,1-2H3/p+1/t8-,12-/m0/s1