(2Z)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CC=C3)/O2)C[NH+]4CCN(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/b19-13-