(3R)-4-(furan-3-ylmethyl)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(furan-3-ylmethyl)-3-[2-(1,2-oxazinan-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-(3-furylmethyl)-3-[2-(oxazinan-2-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-(3-furanylmethyl)-3-[2-(2-oxazinanyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-(furan-3-ylmethyl)-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(3-furfuryl)-3-[2-keto-2-(oxazinan-2-yl)ethyl]piperazin-4-ium-2-one Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCON(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=COC=C3

Isomeric SMILES

C1CCON(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=COC=C3

InChI

InChI=1S/C15H21N3O4/c19-14(18-5-1-2-7-22-18)9-13-15(20)16-4-6-17(13)10-12-3-8-21-11-12/h3,8,11,13H,1-2,4-7,9-10H2,(H,16,20)/p+1/t13-/m1/s1