2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol maleate

Properties Image MNX_ID MNXM116609 reference chebi:64134 formula C20H26INO5 global charge 0 mol weight 487.334 InChIKey IQRDHLSQXOATHD-HBRCEPSSSA-N InChI InChI=1S/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1- SMILES CCCN(C/C=C/I)C1CCC2=C(C=C(O)C=C2)C1.O=C(O)/C=C\C(=O)O MNX internals InChI (mnx) InChI=1/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1-/t15?; SMILES (mnx) [CH3:1][CH2:2][CH2:9][N:18]([CH2:10]/[CH:3]=[CH:8]/[I:17])[CH:15]1[CH2:6][CH2:4][C:13]2=[CH:5][CH:7]=[C:16]([OH:19])[CH:12]=[C:14]2[CH2:11]1.[CH:20](=[CH:21]\[C:23](=[O:26])[OH:27])\[C:22](=[O:24])[OH:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0