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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

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