cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[[(1-phenylcyclopropyl)azaniumyl]methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[[(1-phenylcyclopropyl)azaniumyl]methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-phenylcyclopropyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-phenylcyclopropyl)ammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-phenylcyclopropyl)azaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[(1-phenylcyclopropyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C26H38N2O2+2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]C2(CC2)C3=CC=CC=C3)O)C4CCCCC4

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]C2(CC2)C3=CC=CC=C3)O)C4CCCCC4

InChI

InChI=1S/C26H36N2O2/c1-28(23-13-6-3-7-14-23)19-24(29)20-30-25-15-9-8-10-21(25)18-27-26(16-17-26)22-11-4-2-5-12-22/h2,4-5,8-12,15,23-24,27,29H,3,6-7,13-14,16-20H2,1H3/p+2/t24-/m0/s1