2-(1-azanylpiperidin-1-ium-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide bromide

Systemtic Name: 2-(1-azanylpiperidin-1-ium-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]ethanamide bromide Openeye Name: 2-(1-aminopiperidin-1-ium-1-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide bromide CAS Name: 2-(1-amino-1-piperidin-1-iumyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]acetamide bromide IUPAC Name: 2-(1-aminopiperidin-1-ium-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide bromide Traditional Name: 2-(1-aminopiperidin-1-ium-1-yl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]acetamide bromide Formula: C12H18BrN5O4 MolecularWeight: 376.20642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O4.BrH/c13-17(6-2-1-3-7-17)9-11(18)15-14-8-10-4-5-12(21-10)16(19)20;/h4-5,8H,1-3,6-7,9,13H2;1H/b14-8+;