3-[bis[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azaniumyl]propyl-diethyl-azanium

Systemtic Name: 3-[bis[(2S)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azaniumyl]propyl-diethyl-azanium Openeye Name: bis[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[3-(diethylammonio)propyl]ammonium CAS Name: bis[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[3-(diethylammonio)propyl]ammonium IUPAC Name: bis[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[3-(diethylazaniumyl)propyl]azanium Traditional Name: bis[(2S)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[3-(diethylammonio)propyl]ammonium Formula: C29H44N2O6+2 MolecularWeight: 516.66946

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH+](CC(COC1=CC=C(C=C1)C(=O)C)O)CC(COC2=CC=C(C=C2)C(=O)C)O

Isomeric SMILES

CC[NH+](CC)CCC[NH+](C[C@@H](COC1=CC=C(C=C1)C(=O)C)O)C[C@@H](COC2=CC=C(C=C2)C(=O)C)O

InChI

InChI=1S/C29H42N2O6/c1-5-30(6-2)16-7-17-31(18-26(34)20-36-28-12-8-24(9-13-28)22(3)32)19-27(35)21-37-29-14-10-25(11-15-29)23(4)33/h8-15,26-27,34-35H,5-7,16-21H2,1-4H3/p+2/t26-,27-/m0/s1