ipratropium chloride

Properties Image MNX_ID MNXM156865 reference chebi:553542 formula C20H30ClNO3 global charge 0 mol weight 367.917 InChIKey MQIPRYDNKGFOGV-VVQPYUEFSA-M InChI InChI=1S/C20H30NO3.ClH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+; SMILES CC(C)[N@@+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)C1=CC=CC=C1)C2.[Cl-] MNX internals InChI (mnx) InChI=1/C20H30NO3.ClH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/t16-,17+,18+,19?,21+; SMILES (mnx) [CH3:1][CH:14]([CH3:2])[N@+:21]1([CH3:3])[C@H:16]2[CH2:9][CH2:10][C@@H:17]1[CH2:12][C@H:18]([O:24][C:20]([CH:19]([CH2:13][OH:22])[C:15]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)=[O:23])[CH2:11]2.[ClH:25]

Parent-child relations graph

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