7-bromanyl-1-(4-methylphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

Systemtic Name: 7-bromanyl-1-(4-methylphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Openeye Name: 7-bromo-2-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione CAS Name: 7-bromo-1-(4-methylphenyl)-2-[3-(4-morpholin-4-iumyl)propyl]-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dione IUPAC Name: 7-bromo-1-(4-methylphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione Traditional Name: 7-bromo-2-(3-morpholin-4-ium-4-ylpropyl)-1-(p-tolyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone Formula: C25H26BrN2O4+ MolecularWeight: 498.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(C(=O)N2CCC[NH+]4CCOCC4)OC5=C(C3=O)C=C(C=C5)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(C(=O)N2CCC[NH+]4CCOCC4)OC5=C(C3=O)C=C(C=C5)Br

InChI

InChI=1S/C25H25BrN2O4/c1-16-3-5-17(6-4-16)22-21-23(29)19-15-18(26)7-8-20(19)32-24(21)25(30)28(22)10-2-9-27-11-13-31-14-12-27/h3-8,15,22H,2,9-14H2,1H3/p+1