(2S)-1-(azocan-1-ium-1-yl)-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol

Systemtic Name: (2S)-1-(azocan-1-ium-1-yl)-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol Openeye Name: (2S)-1-(azocan-1-ium-1-yl)-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol CAS Name: (2S)-1-(1-azocan-1-iumyl)-3-[bis(4-methoxyphenyl)methoxy]-2-propanol IUPAC Name: (2S)-1-(azocan-1-ium-1-yl)-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol Traditional Name: (2S)-1-(azocan-1-ium-1-yl)-3-[bis(4-methoxyphenyl)methoxy]propan-2-ol Formula: C25H36NO4+ MolecularWeight: 414.55764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)OC[C@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C25H35NO4/c1-28-23-12-8-20(9-13-23)25(21-10-14-24(29-2)15-11-21)30-19-22(27)18-26-16-6-4-3-5-7-17-26/h8-15,22,25,27H,3-7,16-19H2,1-2H3/p+1/t22-/m0/s1