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

Systemtic Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,7-dimethyl-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:

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

Isomeric SMILES

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

InChI

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