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

Systemtic Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]propyl-dimethyl-ammonium Formula: C19H23N4O5S+ MolecularWeight: 419.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-12-6-7-13(27-4)16-17(12)29-19(20-16)22(11-5-10-21(2)3)18(24)14-8-9-15(28-14)23(25)26/h6-9H,5,10-11H2,1-4H3/p+1