trimethyl-[3-(7-oxidanylidenefuro[3,2-g]chromen-9-yl)oxypropyl]azanium bromide

Systemtic Name: trimethyl-[3-(7-oxidanylidenefuro[3,2-g]chromen-9-yl)oxypropyl]azanium bromide Openeye Name: trimethyl-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]ammonium bromide CAS Name: trimethyl-[3-[(7-oxo-9-furo[3,2-g][1]benzopyranyl)oxy]propyl]ammonium bromide IUPAC Name: trimethyl-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]azanium bromide Traditional Name: 3-(7-ketofuro[3,2-g]chromen-9-yl)oxypropyl-trimethyl-ammonium bromide Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2.[Br-]

InChI

InChI=1S/C17H20NO4.BrH/c1-18(2,3)8-4-9-20-17-15-13(7-10-21-15)11-12-5-6-14(19)22-16(12)17;/h5-7,10-11H,4,8-9H2,1-3H3;1H/q+1;/p-1