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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(1-pyrrolidin-1-iumylmethyl)phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]propyl]-methyl-ammonium Formula: C21H36N2O2+2 MolecularWeight: 348.52274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=CC=CC(=C1)C[NH+]2CCCC2)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@@H](COC1=CC=CC(=C1)C[NH+]2CCCC2)O)C3CCCCC3

InChI

InChI=1S/C21H34N2O2/c1-22(19-9-3-2-4-10-19)16-20(24)17-25-21-11-7-8-18(14-21)15-23-12-5-6-13-23/h7-8,11,14,19-20,24H,2-6,9-10,12-13,15-17H2,1H3/p+2/t20-/m0/s1