2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-dimethyl-azanium

Systemtic Name: 2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]ethylidene-dimethyl-azanium Openeye Name: 2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]ethylidene-dimethyl-ammonium CAS Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-dimethylammonium IUPAC Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]ethylidene-dimethylazanium Traditional Name: 2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenyl]ethylidene-dimethyl-ammonium Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-15(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