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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c24-18(15-6-7-17(28-15)23(25)26)22(9-3-8-21-10-12-27-13-11-21)19-20-14-4-1-2-5-16(14)29-19/h1-2,4-7H,3,8-13H2/p+1