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

Systemtic Name: 3-[7-bromanyl-3,9-bis(oxidanylidene)-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethyl-azanium Openeye Name: 3-(7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)propyl-dimethyl-ammonium CAS Name: 3-(7-bromo-3,9-dioxo-1-phenyl-1H-[1]benzopyrano[2,3-c]pyrrol-2-yl)propyl-dimethylammonium IUPAC Name: 3-(7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)propyl-dimethylazanium Traditional Name: 3-(7-bromo-3,9-diketo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl)propyl-dimethyl-ammonium Formula: C22H22BrN2O3+ MolecularWeight: 442.32568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3/c1-24(2)11-6-12-25-19(14-7-4-3-5-8-14)18-20(26)16-13-15(23)9-10-17(16)28-21(18)22(25)27/h3-5,7-10,13,19H,6,11-12H2,1-2H3/p+1