vilazodone(1+)

Properties Image MNX_ID MNXM162121 reference chebi:70706 formula C26H28N5O2 global charge 1 mol weight 442.543 InChIKey SGEGOXDYSFKCPT-UHFFFAOYSA-O InChI InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)/p+1 SMILES N#CC1=CC2=C(C=C1)NC=C2CCCC[NH+]1CCN(C2=CC=C3OC(C(N)=O)=CC3=C2)CC1 MNX internals InChI (mnx) InChI=1/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) SMILES (mnx) [CH2:1]([CH2:2][CH2:8][N:30]1[CH2:9][CH2:11][N:31]([C:21]2=[CH:14][C:20]3=[C:24]([CH:7]=[CH:5]2)[O:33][C:25]([C:26](=[NH:28])[OH:32])=[CH:15]3)[CH2:12][CH2:10]1)[CH2:3][C:19]1=[CH:17][NH:29][C:23]2=[C:22]1[CH:13]=[C:18]([C:16]#[N:27])[CH:4]=[CH:6]2

Parent-child relations graph

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