1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(9H-fluoren-9-yl)piperazin-1-ium Formula: C26H26ClN2O2+ MolecularWeight: 433.94984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4C5=CC=CC=C5C6=CC=CC=C46

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C26H25ClN2O2/c27-20-13-18(26-19(14-20)16-30-17-31-26)15-28-9-11-29(12-10-28)25-23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-8,13-14,25H,9-12,15-17H2/p+1