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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(3-pyridin-3-ylpropylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridyl)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridinyl)propylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-pyridin-3-ylpropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridyl)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C25H39N3O2+2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCCC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]CCCC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C25H37N3O2/c1-28(23-11-3-2-4-12-23)19-24(29)20-30-25-13-5-8-22(16-25)18-27-15-7-10-21-9-6-14-26-17-21/h5-6,8-9,13-14,16-17,23-24,27,29H,2-4,7,10-12,15,18-20H2,1H3/p+2/t24-/m0/s1