(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-2-(4-pyridylmethylene)coumaran-6-olate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)[O-]

InChI

InChI=1S/C21H23N3O3/c1-2-23-9-11-24(12-10-23)14-17-18(25)4-3-16-20(26)19(27-21(16)17)13-15-5-7-22-8-6-15/h3-8,13,25H,2,9-12,14H2,1H3/b19-13-