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

Systemtic Name: bis[(2S)-3-(4-acetamidophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]ammonium CAS Name: bis[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]ammonium IUPAC Name: bis[(2S)-3-(4-acetamidophenoxy)-2-hydroxypropyl]azanium Traditional Name: bis[(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]ammonium Formula: C22H30N3O6+ MolecularWeight: 432.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH2+]CC(COC2=CC=C(C=C2)NC(=O)C)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH2+]C[C@@H](COC2=CC=C(C=C2)NC(=O)C)O)O

InChI

InChI=1S/C22H29N3O6/c1-15(26)24-17-3-7-21(8-4-17)30-13-19(28)11-23-12-20(29)14-31-22-9-5-18(6-10-22)25-16(2)27/h3-10,19-20,23,28-29H,11-14H2,1-2H3,(H,24,26)(H,25,27)/p+1/t19-,20-/m0/s1