cyclohexyl-[(2R)-3-[2-methoxy-4-[(prop-2-enylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(prop-2-enylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-[4-[(allylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(prop-2-enylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(prop-2-enylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: [(2R)-3-[4-[(allylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C21H36N2O3+2 MolecularWeight: 364.52214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=C(C=C(C=C1)C[NH2+]CC=C)OC)O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC=C)OC)O)C2CCCCC2

InChI

InChI=1S/C21H34N2O3/c1-4-12-22-14-17-10-11-20(21(13-17)25-3)26-16-19(24)15-23(2)18-8-6-5-7-9-18/h4,10-11,13,18-19,22,24H,1,5-9,12,14-16H2,2-3H3/p+2/t19-/m1/s1