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

Systemtic Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]propyl-dimethyl-ammonium Formula: C19H23N4O4S+ MolecularWeight: 403.47532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O4S/c1-4-13-6-7-14-16(12-13)28-19(20-14)22(11-5-10-21(2)3)18(24)15-8-9-17(27-15)23(25)26/h6-9,12H,4-5,10-11H2,1-3H3/p+1