4-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(6,8-dichloro-4-oxo-chromen-3-yl)methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(6,8-dichloro-4-oxo-1-benzopyran-3-yl)methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(6,8-dichloro-4-oxochromen-3-yl)methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(6,8-dichloro-4-keto-chromen-3-yl)methyl]piperazin-4-ium-1-carbaldehyde Formula: C15H15Cl2N2O3+ MolecularWeight: 342.1972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C=O

InChI

InChI=1S/C15H14Cl2N2O3/c16-11-5-12-14(21)10(8-22-15(12)13(17)6-11)7-18-1-3-19(9-20)4-2-18/h5-6,8-9H,1-4,7H2/p+1