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

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(3-methylphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(m-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-[(3-methylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(3-methylbenzylidene)coumaran-3-one Formula: C23H28N2O3+2 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-3-24-9-11-25(12-10-24)15-19-20(26)8-7-18-22(27)21(28-23(18)19)14-17-6-4-5-16(2)13-17/h4-8,13-14,26H,3,9-12,15H2,1-2H3/p+2/b21-14-