[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [4-(2-amino-3-hydroxy-3-oxopropyl)phenyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [4-(2-amino-3-hydroxy-3-oxopropyl)phenyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [4-(2-amino-3-hydroxy-3-keto-propyl)phenyl] 2-(trimethylammonio)ethyl phosphate Formula: C14H23N2O6P MolecularWeight: 346.315981

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C(C=C1)CC(C(=O)O)N

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OC1=CC=C(C=C1)CC(C(=O)O)N

InChI

InChI=1S/C14H23N2O6P/c1-16(2,3)8-9-21-23(19,20)22-12-6-4-11(5-7-12)10-13(15)14(17)18/h4-7,13H,8-10,15H2,1-3H3,(H-,17,18,19,20)