2-bromanyl-4-[[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-4-[[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amino]methylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C25H25BrN3O2+ MolecularWeight: 479.3889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)C=C(C1=O)Br

InChI

InChI=1S/C25H24BrN3O2/c1-31-23-15-17(14-22(26)25(23)30)16-27-29-12-10-28(11-13-29)24-20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-9,14-16,24,27H,10-13H2,1H3/p+1