4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(4,5-dimethoxy-2-nitro-phenyl)methyl]thiomorpholin-4-ium CAS Name: 4-[(4,5-dimethoxy-2-nitrophenyl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(4,5-dimethoxy-2-nitrophenyl)methyl]thiomorpholin-4-ium Traditional Name: 4-(4,5-dimethoxy-2-nitro-benzyl)thiomorpholin-4-ium Formula: C13H19N2O4S+ MolecularWeight: 299.36596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCSCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCSCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H18N2O4S/c1-18-12-7-10(9-14-3-5-20-6-4-14)11(15(16)17)8-13(12)19-2/h7-8H,3-6,9H2,1-2H3/p+1