N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(piperidin-1-ium-1-ylamino)ethanamide chloride

Systemtic Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(piperidin-1-ium-1-ylamino)ethanamide chloride Openeye Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-2-(piperidin-1-ium-1-ylamino)acetamide chloride CAS Name: N-[(E)-(5-nitro-2-furanyl)methylideneamino]-2-(1-piperidin-1-iumylamino)acetamide chloride IUPAC Name: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(piperidin-1-ium-1-ylamino)acetamide chloride Traditional Name: N-[(E)-(5-nitro-2-furyl)methyleneamino]-2-(piperidin-1-ium-1-ylamino)acetamide chloride Formula: C12H18ClN5O4 MolecularWeight: 331.75542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)NCC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)NCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H17N5O4.ClH/c18-11(9-14-16-6-2-1-3-7-16)15-13-8-10-4-5-12(21-10)17(19)20;/h4-5,8,14H,1-3,6-7,9H2,(H,15,18);1H/b13-8+;