(2Z)-4-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-4-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-4-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-4-methyl-7-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-4-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-4-methyl-7-[(4-methylpiperazine-1,4-diium-1-yl)methyl]coumaran-3-one Formula: C22H26N2O3+2 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3)O2)C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CC=C3)/O2)C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C22H24N2O3/c1-15-12-18(25)17(14-24-10-8-23(2)9-11-24)22-20(15)21(26)19(27-22)13-16-6-4-3-5-7-16/h3-7,12-13,25H,8-11,14H2,1-2H3/p+2/b19-13-