ethyl 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(3-oxo-1-piperazin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-oxopiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(3-ketopiperazin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H18N2O4/c1-2-21-16(20)15-12(9-18-8-7-17-14(19)10-18)11-5-3-4-6-13(11)22-15/h3-6H,2,7-10H2,1H3,(H,17,19)/p+1