ethyl 4-[2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[(2R)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[(2R)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2R)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H29N4O5+ MolecularWeight: 393.45736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2C(=O)NCC[NH+]2CC3=COC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=COC=C3

InChI

InChI=1S/C19H28N4O5/c1-2-28-19(26)22-7-3-15(4-8-22)21-17(24)11-16-18(25)20-6-9-23(16)12-14-5-10-27-13-14/h5,10,13,15-16H,2-4,6-9,11-12H2,1H3,(H,20,25)(H,21,24)/p+1/t16-/m1/s1