9-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]furo[3,2-g]chromen-7-one bromide

Systemtic Name: 9-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]furo[3,2-g]chromen-7-one bromide Openeye Name: 9-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]furo[3,2-g]chromen-7-one bromide CAS Name: 9-[3-(1,4-dimethyl-1-piperazin-1-iumyl)propoxy]-7-furo[3,2-g][1]benzopyranone bromide IUPAC Name: 9-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]furo[3,2-g]chromen-7-one bromide Traditional Name: 9-[3-(1,4-dimethylpiperazin-1-ium-1-yl)propoxy]furo[3,2-g]chromen-7-one bromide Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(C)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3.[Br-]

Isomeric SMILES

CN1CC[N+](CC1)(C)CCCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3.[Br-]

InChI

InChI=1S/C20H25N2O4.BrH/c1-21-7-10-22(2,11-8-21)9-3-12-24-20-18-16(6-13-25-18)14-15-4-5-17(23)26-19(15)20;/h4-6,13-14H,3,7-12H2,1-2H3;1H/q+1;/p-1