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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(pyridin-3-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-pyridylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-pyridinylmethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(pyridin-3-ylmethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(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(=C1)C[NH2+]CC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]CC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C23H33N3O2/c1-26(21-9-3-2-4-10-21)17-22(27)18-28-23-11-5-7-19(13-23)14-25-16-20-8-6-12-24-15-20/h5-8,11-13,15,21-22,25,27H,2-4,9-10,14,16-18H2,1H3/p+2/t22-/m0/s1