6-chloranyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one

Systemtic Name: 6-chloranyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 6-chloro-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 6-chloro-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-coumarin Formula: C21H23ClN2O3+2 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C3C(=CC(=C2O)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/p+2