3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]propyl-dimethyl-ammonium Formula: C18H20ClN4O5S+ MolecularWeight: 439.8932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O5S/c1-21(2)9-4-10-22(17(24)13-7-8-14(28-13)23(25)26)18-20-15-12(27-3)6-5-11(19)16(15)29-18/h5-8H,4,9-10H2,1-3H3/p+1