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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(3-oxidanylpropylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-hydroxypropylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-hydroxypropylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-hydroxypropylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(3-hydroxypropylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C20H36N2O3+2 MolecularWeight: 352.51144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCCO)O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCCO)O)C2CCCCC2

InChI

InChI=1S/C20H34N2O3/c1-22(18-9-3-2-4-10-18)15-19(24)16-25-20-11-6-5-8-17(20)14-21-12-7-13-23/h5-6,8,11,18-19,21,23-24H,2-4,7,9-10,12-16H2,1H3/p+2/t19-/m0/s1