N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-furylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(3-furanylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,4-dimethoxybenzyl)-2-[(2R)-1-(3-furfuryl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=COC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=COC=C3)OC

InChI

InChI=1S/C20H25N3O5/c1-26-16-4-3-15(18(9-16)27-2)11-22-19(24)10-17-20(25)21-6-7-23(17)12-14-5-8-28-13-14/h3-5,8-9,13,17H,6-7,10-12H2,1-2H3,(H,21,25)(H,22,24)/p+1/t17-/m1/s1