cyclohexyl-methyl-[(2S)-3-[2-[(oxan-4-ylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[2-[(oxan-4-ylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(tetrahydropyran-4-ylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(4-oxanylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(oxan-4-ylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(tetrahydropyran-4-ylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]C2CCOCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]C2CCOCC2)O)C3CCCCC3

InChI

InChI=1S/C22H36N2O3/c1-24(20-8-3-2-4-9-20)16-21(25)17-27-22-10-6-5-7-18(22)15-23-19-11-13-26-14-12-19/h5-7,10,19-21,23,25H,2-4,8-9,11-17H2,1H3/p+2/t21-/m0/s1