N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-furan-2-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-furan-2-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-furan-2-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitrofuran-2-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-2-furamide Formula: C19H21N4O5S+ MolecularWeight: 417.45884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-13-2-3-14-16(12-13)29-19(20-14)22(7-6-21-8-10-27-11-9-21)18(24)15-4-5-17(28-15)23(25)26/h2-5,12H,6-11H2,1H3/p+1