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

Systemtic Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-[(2-methylphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(o-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-7-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-hydroxy-2-(2-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=C4C)C3=O)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4C)/C3=O)O

InChI

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