Specification
IUPAC Name
N-(6-aminohexyl)-2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetamide;hydrochloride
Canonical SMILES
[B-]1(N2C(=CC=C2C=CC3=CC=C(C=C3)OCC(=O)NCCCCCCN)C=C4[N+]1=C(C=C4)C5=S=CC=C5)(F)F.Cl
InChI
InChI=1S/C29H31BF2N4O2S.ClH/c31-30(32)35-23(11-12-24(35)20-25-13-16-27(36(25)30)28-6-5-19-39-28)10-7-22-8-14-26(15-9-22)38-21-29(37)34-18-4-2-1-3-17-33;/h5-16,19-20H,1-4,17-18,21,33H2,(H,34,37);1H/b10-7+;
InChI Key
DTXGFXJOYRBDIB-HCUGZAAXSA-N
Storage
-20 °C in the dark