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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH2+]CCOC2=CC=CC=C2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH2+]CCOC2=CC=CC=C2)O)C3CCCCC3

InChI

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