(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocan-1-iumyl)-3-[2-methoxy-5-[(4-propan-2-yl-1-piperazin-4-iumyl)methyl]phenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-5-[(4-propan-2-ylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-[(4-isopropylpiperazin-4-ium-1-yl)methyl]-2-methoxy-phenoxy]propan-2-ol Formula: C25H45N3O3+2 MolecularWeight: 435.6431

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C25H43N3O3/c1-21(2)28-15-13-27(14-16-28)18-22-9-10-24(30-3)25(17-22)31-20-23(29)19-26-11-7-5-4-6-8-12-26/h9-10,17,21,23,29H,4-8,11-16,18-20H2,1-3H3/p+2/t23-/m1/s1