(2Z)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-3-keto-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4)C3=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)[O-]

InChI

InChI=1S/C22H23NO3/c1-15-6-5-11-23(13-15)14-18-19(24)10-9-17-21(25)20(26-22(17)18)12-16-7-3-2-4-8-16/h2-4,7-10,12,15,24H,5-6,11,13-14H2,1H3/b20-12-/t15-/m0/s1