8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-phenyl-chromen-7-olate

Systemtic Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-3-phenyl-chromen-7-olate CAS Name: 8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-3-phenylchromen-7-olate Traditional Name: 2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-phenyl-chromen-7-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H22N2O3/c1-22-9-11-23(12-10-22)14-18-19(24)8-7-16-13-17(21(25)26-20(16)18)15-5-3-2-4-6-15/h2-8,13,24H,9-12,14H2,1H3