3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propyl-dimethyl-ammonium Formula: C12H20N3O5S+ MolecularWeight: 318.3693

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O5S/c1-14(2)8-4-7-13-21(18,19)10-5-6-12(20-3)11(9-10)15(16)17/h5-6,9,13H,4,7-8H2,1-3H3/p+1