6,8-bis(chloranyl)-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-4-one

Systemtic Name: 6,8-bis(chloranyl)-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-4-one Openeye Name: 6,8-dichloro-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 6,8-dichloro-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dichloro-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 6,8-dichloro-3-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromone Formula: C16H20Cl2N2O2+2 MolecularWeight: 343.2482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O2/c1-19-3-2-4-20(6-5-19)9-11-10-22-16-13(15(11)21)7-12(17)8-14(16)18/h7-8,10H,2-6,9H2,1H3/p+2