cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-pyrrolidin-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[2-[(2-pyrrolidin-1-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyrrolidin-1-ylethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[[2-(1-pyrrolidinyl)ethylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyrrolidin-1-ylethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[2-[(2-pyrrolidinoethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C23H41N3O2+2 MolecularWeight: 391.59054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC=C1C[NH2+]CCN2CCCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC=C1C[NH2+]CCN2CCCC2)O)C3CCCCC3

InChI

InChI=1S/C23H39N3O2/c1-25(21-10-3-2-4-11-21)18-22(27)19-28-23-12-6-5-9-20(23)17-24-13-16-26-14-7-8-15-26/h5-6,9,12,21-22,24,27H,2-4,7-8,10-11,13-19H2,1H3/p+2/t22-/m0/s1