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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-pyridin-3-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridyl)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridinyl)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyridin-3-ylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridyl)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C24H37N3O2+2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C24H35N3O2/c1-27(22-10-3-2-4-11-22)18-23(28)19-29-24-12-6-5-9-21(24)17-26-15-13-20-8-7-14-25-16-20/h5-9,12,14,16,22-23,26,28H,2-4,10-11,13,15,17-19H2,1H3/p+2/t23-/m0/s1