ethyl 4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N4O5+ MolecularWeight: 393.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(O3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(O3)C

InChI

InChI=1S/C19H28N4O5/c1-3-27-19(26)22-10-8-21(9-11-22)17(24)12-16-18(25)20-6-7-23(16)13-15-5-4-14(2)28-15/h4-5,16H,3,6-13H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1