(2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propan-2-ol Formula: C22H39N3O3+2 MolecularWeight: 393.56336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCCCCC3)O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCCCC3)O)OC

InChI

InChI=1S/C22H37N3O3/c1-23-11-13-25(14-12-23)16-19-7-8-21(22(15-19)27-2)28-18-20(26)17-24-9-5-3-4-6-10-24/h7-8,15,20,26H,3-6,9-14,16-18H2,1-2H3/p+2/t20-/m1/s1