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

Systemtic Name: 6-chloranyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-4-phenyl-chromen-7-olate Openeye Name: 6-chloro-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-4-phenyl-chromen-7-olate CAS Name: 6-chloro-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-4-phenyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-4-phenylchromen-7-olate Traditional Name: 6-chloro-2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-phenyl-chromen-7-olate Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O3/c1-23-7-9-24(10-8-23)13-17-20(26)18(22)11-16-15(12-19(25)27-21(16)17)14-5-3-2-4-6-14/h2-6,11-12,26H,7-10,13H2,1H3