2-[[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylammonium IUPAC Name: 2-[[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]sulfonylamino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2-methoxy-4-methyl-phenoxy)-3-nitro-phenyl]sulfonylamino]ethyl-dimethyl-ammonium Formula: C18H24N3O6S+ MolecularWeight: 410.46466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)NCC[NH+](C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N3O6S/c1-13-5-7-17(18(11-13)26-4)27-16-8-6-14(12-15(16)21(22)23)28(24,25)19-9-10-20(2)3/h5-8,11-12,19H,9-10H2,1-4H3/p+1