(E)-2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-methoxy-methyl-azanium

Systemtic Name: (E)-2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-methoxy-methyl-azanium Openeye Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]ethylidene-methoxy-methyl-ammonium CAS Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-methoxy-methylammonium IUPAC Name: (E)-2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-methoxy-methylazanium Traditional Name: (E)-2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenyl]ethylidene-methoxy-methyl-ammonium Formula: C13H19N2O3+ MolecularWeight: 251.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CCC1=CC=C(C=C1)CC(C(=O)O)N)OC

Isomeric SMILES

C/[N+](=C\CC1=CC=C(C=C1)CC(C(=O)O)N)/OC

InChI

InChI=1S/C13H18N2O3/c1-15(18-2)8-7-10-3-5-11(6-4-10)9-12(14)13(16)17/h3-6,8,12H,7,9,14H2,1-2H3/p+1/b15-8+