3-[7-bromanyl-1-(3-methoxyphenyl)-3,9-bis(oxidanylidene)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-azanium

Systemtic Name: 3-[7-bromanyl-1-(3-methoxyphenyl)-3,9-bis(oxidanylidene)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-azanium Openeye Name: 3-[7-bromo-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-ammonium CAS Name: 3-[7-bromo-1-(3-methoxyphenyl)-3,9-dioxo-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl]propyl-diethylammonium IUPAC Name: 3-[7-bromo-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethylazanium Traditional Name: 3-[7-bromo-3,9-diketo-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-diethyl-ammonium Formula: C25H28BrN2O4+ MolecularWeight: 500.40482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C2=C(C1=O)OC3=C(C2=O)C=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CC[NH+](CC)CCCN1C(C2=C(C1=O)OC3=C(C2=O)C=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C25H27BrN2O4/c1-4-27(5-2)12-7-13-28-22(16-8-6-9-18(14-16)31-3)21-23(29)19-15-17(26)10-11-20(19)32-24(21)25(28)30/h6,8-11,14-15,22H,4-5,7,12-13H2,1-3H3/p+1