4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Traditional Name: 4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Formula: C12H15N2O4S+ MolecularWeight: 283.3235

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1CSCC[NH+]1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C12H14N2O4S/c15-14(16)10-6-12-11(17-8-18-12)5-9(10)7-13-1-3-19-4-2-13/h5-6H,1-4,7-8H2/p+1