(2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(4-isopropylphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-[(4-propan-2-ylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(4-isopropylbenzylidene)coumaran-3-one Formula: C25H32N2O3+2 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(C)C)C3=O)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(C)C)/C3=O)O

InChI

InChI=1S/C25H30N2O3/c1-4-26-11-13-27(14-12-26)16-21-22(28)10-9-20-24(29)23(30-25(20)21)15-18-5-7-19(8-6-18)17(2)3/h5-10,15,17,28H,4,11-14,16H2,1-3H3/p+2/b23-15-