3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(2-chloro-5-nitro-benzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-chloro-5-nitrobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-chloro-5-nitro-benzoyl)amino]propyl-dimethyl-ammonium Formula: C12H17ClN3O3+ MolecularWeight: 286.73468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O3/c1-15(2)7-3-6-14-12(17)10-8-9(16(18)19)4-5-11(10)13/h4-5,8H,3,6-7H2,1-2H3,(H,14,17)/p+1