3-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]propyl-dimethyl-ammonium Formula: C18H21N4O5S+ MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-20(2)9-4-10-21(17(23)14-7-8-16(27-14)22(24)25)18-19-13-6-5-12(26-3)11-15(13)28-18/h5-8,11H,4,9-10H2,1-3H3/p+1