(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: (6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium Openeye Name: (6-chloro-4-oxo-chromen-3-yl)methyl-[3-(dimethylammonio)propyl]-(2-furylmethyl)ammonium CAS Name: (6-chloro-4-oxo-1-benzopyran-3-yl)methyl-[3-(dimethylammonio)propyl]-(2-furanylmethyl)ammonium IUPAC Name: (6-chloro-4-oxochromen-3-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium Traditional Name: (6-chloro-4-keto-chromen-3-yl)methyl-[3-(dimethylammonio)propyl]-(2-furfuryl)ammonium Formula: C20H25ClN2O3+2 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O3/c1-22(2)8-4-9-23(13-17-5-3-10-25-17)12-15-14-26-19-7-6-16(21)11-18(19)20(15)24/h3,5-7,10-11,14H,4,8-9,12-13H2,1-2H3/p+2