ethyl 4-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1S)-3-oxidanylidene-1H-2-benzofuran-1-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1S)-3-oxo-1H-isobenzofuran-1-yl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1S)-3-oxo-1H-isobenzofuran-1-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1S)-3-oxo-1H-2-benzofuran-1-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-3-ketophthalan-1-yl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H19N2O4+ MolecularWeight: 291.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C15H18N2O4/c1-2-20-15(19)17-9-7-16(8-10-17)13-11-5-3-4-6-12(11)14(18)21-13/h3-6,13H,2,7-10H2,1H3/p+1/t13-/m0/s1