N-(furan-2-ylmethyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-4-oxidanylidene-4-piperazin-4-ium-1-yl-butanamide Openeye Name: N-(2-furylmethyl)-4-oxo-4-piperazin-4-ium-1-yl-butanamide CAS Name: N-(2-furanylmethyl)-4-oxo-4-(1-piperazin-4-iumyl)butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-oxo-4-piperazin-4-ium-1-ylbutanamide Traditional Name: N-(2-furfuryl)-4-keto-4-piperazin-4-ium-1-yl-butyramide Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CCC(=O)NCC2=CC=CO2

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C13H19N3O3/c17-12(15-10-11-2-1-9-19-11)3-4-13(18)16-7-5-14-6-8-16/h1-2,9,14H,3-8,10H2,(H,15,17)/p+1