cyclohexyl-methyl-[(2R)-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2R)-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(4-methyl-1-piperazin-4-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H39N3O2+2 MolecularWeight: 377.56396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=CC=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C22H37N3O2/c1-23-11-13-25(14-12-23)16-19-7-6-10-22(15-19)27-18-21(26)17-24(2)20-8-4-3-5-9-20/h6-7,10,15,20-21,26H,3-5,8-9,11-14,16-18H2,1-2H3/p+2/t21-/m1/s1