2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(5-methyl-2-furyl)methyl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=C(O3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=C(O3)C

InChI

InChI=1S/C21H27N3O4/c1-3-27-19-7-5-4-6-16(19)14-24-11-10-22-21(26)18(24)12-20(25)23-13-17-9-8-15(2)28-17/h4-9,18H,3,10-14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1