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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-phenoxyethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-phenoxyethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C25H38N2O3+2 MolecularWeight: 414.58082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-27(22-11-4-2-5-12-22)19-23(28)20-30-25-15-9-8-10-21(25)18-26-16-17-29-24-13-6-3-7-14-24/h3,6-10,13-15,22-23,26,28H,2,4-5,11-12,16-20H2,1H3/p+2/t23-/m0/s1