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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-pyridin-3-yloxyethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridyloxy)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridinyloxy)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyridin-3-yloxyethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(3-pyridyloxy)ethylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCOC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCOC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C24H35N3O3/c1-27(21-9-3-2-4-10-21)18-22(28)19-30-24-12-6-5-8-20(24)16-26-14-15-29-23-11-7-13-25-17-23/h5-8,11-13,17,21-22,26,28H,2-4,9-10,14-16,18-19H2,1H3/p+2/t22-/m0/s1