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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-furan-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-furan-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-nitro-2-furancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitrofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-2-furamide Formula: C18H19N4O5S+ MolecularWeight: 403.43226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c23-17(14-5-6-16(27-14)22(24)25)21(8-7-20-9-11-26-12-10-20)18-19-13-3-1-2-4-15(13)28-18/h1-6H,7-12H2/p+1