[(2S)-2-(4-chloranyl-3-nitro-phenyl)-2-(diethylamino)ethyl]azanium

Systemtic Name: [(2S)-2-(4-chloranyl-3-nitro-phenyl)-2-(diethylamino)ethyl]azanium Openeye Name: [(2S)-2-(4-chloro-3-nitro-phenyl)-2-(diethylamino)ethyl]ammonium CAS Name: [(2S)-2-(4-chloro-3-nitrophenyl)-2-(diethylamino)ethyl]ammonium IUPAC Name: [(2S)-2-(4-chloro-3-nitrophenyl)-2-(diethylamino)ethyl]azanium Traditional Name: [(2S)-2-(4-chloro-3-nitro-phenyl)-2-(diethylamino)ethyl]ammonium Formula: C12H19ClN3O2+ MolecularWeight: 272.75116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN3O2/c1-3-15(4-2)12(8-14)9-5-6-10(13)11(7-9)16(17)18/h5-7,12H,3-4,8,14H2,1-2H3/p+1/t12-/m1/s1