3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(2-chloro-4-nitro-benzoyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(2-chloro-4-nitrobenzoyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(2-chloro-4-nitro-benzoyl)amino]propyl]-methyl-ammonium Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H20ClN3O3/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-18(23)16-9-8-15(22(24)25)12-17(16)19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,20,23)/p+1