4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 2-keto-4-[(4-methylpiperazin-1-ium-1-yl)methyl]-7-phenyl-chromen-6-olate Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4

InChI

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