Tropatepine hydrochloride

Properties Image MNX_ID MNXM161967 reference keggD:D08653 formula C22H24ClNS global charge 0 mol weight 369.961 InChIKey LVASURLUIYTDHW-UHFFFAOYSA-N InChI InChI=1S/C22H23NS.ClH/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22;/h2-9,17-18H,10-14H2,1H3;1H SMILES CN1C2CCC1CC(=C1C3=C(C=CC=C3)CSC3=C1C=CC=C3)C2.Cl MNX internals InChI (mnx) InChI=1/C22H23NS.ClH/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22;/h2-9,17-18H,10-14H2,1H3;1H/b22-16?;/t17?,18?; SMILES (mnx) [CH3:1][N:23]1[CH:17]2[CH2:10][CH2:11][CH:18]1[CH2:13][C:16](=[C:22]1[C:19]3=[CH:7][CH:3]=[CH:2][CH:6]=[C:15]3[CH2:14][S:24][C:21]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:20]31)[CH2:12]2.[ClH:25]

Parent-child relations graph

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