Wieland-Gumlich aldehyde

Properties Image MNX_ID MNXM1132732 reference metacycM:CPD-24091 formula C19H23N2O2 global charge 1 mol weight 311.405 InChIKey ZOMKIDXZHXWPCN-DYAJAIQSSA-O InChI InChI=1S/C19H22N2O2/c22-8-5-12-10-21-7-6-19-15-3-1-2-4-16(15)20-18(19)14(11-23)13(12)9-17(19)21/h1-5,11,13-14,17-18,20,22H,6-10H2/p+1/b12-5-/t13-,14+,17-,18-,19+/m0/s1 SMILES O=C[C@@H]1[C@H]2C[C@@H]3[NH+](CC[C@@]34C3=CC=CC=C3N[C@@H]14)C/C2=C/CO MNX internals InChI (mnx) InChI=1/C19H22N2O2/c22-8-5-12-10-21-7-6-19-15-3-1-2-4-16(15)20-18(19)14(11-23)13(12)9-17(19)21/h1-5,11,13-14,17-18,20,22H,6-10H2/b12-5-/t13-,14+,17-,18-,19+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:16]2[C:15](=[CH:3]1)[C@:19]13[CH2:6][CH2:7][N:21]4[CH2:10]/[C:12](=[CH:5]/[CH2:8][OH:22])[C@H:13]([CH2:9][C@@H:17]14)[C@@H:14]([CH:11]=[O:23])[C@@H:18]3[NH:20]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0