(2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-4-methyl-7-(4-morpholin-4-iumylmethyl)-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-3-keto-4-methyl-7-(morpholin-4-ium-4-ylmethyl)coumaran-6-olate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3)O2)C[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CC=C3)/O2)C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C21H21NO4/c1-14-11-17(23)16(13-22-7-9-25-10-8-22)21-19(14)20(24)18(26-21)12-15-5-3-2-4-6-15/h2-6,11-12,23H,7-10,13H2,1H3/b18-12-