cyclohexyl-methyl-[(2R)-2-oxidanyl-3-[2-[(pyridin-3-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2R)-2-oxidanyl-3-[2-[(pyridin-3-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(3-pyridylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(3-pyridinylmethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(pyridin-3-ylmethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-[(3-pyridylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@H](COC1=CC=CC=C1C[NH2+]CC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C23H33N3O2/c1-26(21-10-3-2-4-11-21)17-22(27)18-28-23-12-6-5-9-20(23)16-25-15-19-8-7-13-24-14-19/h5-9,12-14,21-22,25,27H,2-4,10-11,15-18H2,1H3/p+2/t22-/m1/s1