Pipethanate hydrochloride

Properties Image MNX_ID MNXM160265 reference chebi:32008 formula C21H26ClNO3 global charge 0 mol weight 375.896 InChIKey ZJVKLBBPLUXEAC-UHFFFAOYSA-N InChI InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H SMILES Cl.O=C(OCCN1CCCCC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H SMILES (mnx) [CH:1]1=[CH:4][CH:10]=[C:18]([C:21]([C:19]2=[CH:12][CH:6]=[CH:2][CH:7]=[CH:13]2)([C:20](=[O:23])[O:25][CH2:17][CH2:16][N:22]2[CH2:14][CH2:8][CH2:3][CH2:9][CH2:15]2)[OH:24])[CH:11]=[CH:5]1.[ClH:26]

Parent-child relations graph

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