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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[(3-pyridin-3-yloxypropylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridyloxy)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridinyloxy)propylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(3-pyridin-3-yloxypropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[3-(3-pyridyloxy)propylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C25H39N3O3+2 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCCOC2=CN=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]CCCOC2=CN=CC=C2)O)C3CCCCC3

InChI

InChI=1S/C25H37N3O3/c1-28(22-9-3-2-4-10-22)19-23(29)20-31-24-11-5-8-21(16-24)17-26-14-7-15-30-25-12-6-13-27-18-25/h5-6,8,11-13,16,18,22-23,26,29H,2-4,7,9-10,14-15,17,19-20H2,1H3/p+2/t23-/m0/s1