[(2S)-3-(4-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(4-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S)-2-hydroxy-3-(4-methoxycarbonylphenoxy)propyl]azanium Traditional Name: dibenzyl-[(2S)-3-(4-carbomethoxyphenoxy)-2-hydroxy-propyl]ammonium Formula: C25H28NO4+ MolecularWeight: 406.49412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)O

InChI

InChI=1S/C25H27NO4/c1-29-25(28)22-12-14-24(15-13-22)30-19-23(27)18-26(16-20-8-4-2-5-9-20)17-21-10-6-3-7-11-21/h2-15,23,27H,16-19H2,1H3/p+1/t23-/m0/s1