methyl-[(2R)-2-oxidanyl-2-[3-(3-phenylpropanoyloxy)phenyl]ethyl]azanium

Systemtic Name: methyl-[(2R)-2-oxidanyl-2-[3-(3-phenylpropanoyloxy)phenyl]ethyl]azanium Openeye Name: [(2R)-2-hydroxy-2-[3-(3-phenylpropanoyloxy)phenyl]ethyl]-methyl-ammonium CAS Name: [(2R)-2-hydroxy-2-[3-(1-oxo-3-phenylpropoxy)phenyl]ethyl]-methylammonium IUPAC Name: [(2R)-2-hydroxy-2-[3-(3-phenylpropanoyloxy)phenyl]ethyl]-methylazanium Traditional Name: [(2R)-2-(3-hydrocinnamoyloxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium Formula: C18H22NO3+ MolecularWeight: 300.37218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C1=CC(=CC=C1)OC(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

C[NH2+]C[C@@H](C1=CC(=CC=C1)OC(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO3/c1-19-13-17(20)15-8-5-9-16(12-15)22-18(21)11-10-14-6-3-2-4-7-14/h2-9,12,17,19-20H,10-11,13H2,1H3/p+1/t17-/m0/s1