2-[(2S)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(2S)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2S)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2S)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)CC2C(=O)NCC[NH+]2CC3=COC=C3

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=COC=C3

InChI

InChI=1S/C18H22N4O3/c1-21(12-15-4-2-3-6-19-15)17(23)10-16-18(24)20-7-8-22(16)11-14-5-9-25-13-14/h2-6,9,13,16H,7-8,10-12H2,1H3,(H,20,24)/p+1/t16-/m0/s1