1-[(E)-[2-(5-nitrofuran-2-yl)-3-piperidin-1-ium-1-yl-propylidene]amino]urea

Systemtic Name: 1-[(E)-[2-(5-nitrofuran-2-yl)-3-piperidin-1-ium-1-yl-propylidene]amino]urea Openeye Name: [(E)-[2-(5-nitro-2-furyl)-3-piperidin-1-ium-1-yl-propylidene]amino]urea CAS Name: [(E)-[2-(5-nitro-2-furanyl)-3-(1-piperidin-1-iumyl)propylidene]amino]urea IUPAC Name: [(E)-[2-(5-nitrofuran-2-yl)-3-piperidin-1-ium-1-ylpropylidene]amino]urea Traditional Name: [(E)-[2-(5-nitro-2-furyl)-3-piperidin-1-ium-1-yl-propylidene]amino]urea Formula: C13H20N5O4+ MolecularWeight: 310.329

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C=NNC(=O)N)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O4/c14-13(19)16-15-8-10(9-17-6-2-1-3-7-17)11-4-5-12(22-11)18(20)21/h4-5,8,10H,1-3,6-7,9H2,(H3,14,16,19)/p+1/b15-8+