dimethyl-[2-[[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylamino]ethyl]azanium Openeye Name: 2-[[4-(2-allylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylamino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[3-nitro-4-(2-prop-2-enylphenoxy)phenyl]sulfonylamino]ethyl]azanium Traditional Name: 2-[[4-(2-allylphenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C19H24N3O5S+ MolecularWeight: 406.47596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2CC=C)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC(=C(C=C1)OC2=CC=CC=C2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-4-7-15-8-5-6-9-18(15)27-19-11-10-16(14-17(19)22(23)24)28(25,26)20-12-13-21(2)3/h4-6,8-11,14,20H,1,7,12-13H2,2-3H3/p+1