[3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium

Systemtic Name: [3-methoxy-2-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: (1-hydroxycyclohexyl)methyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: (1-hydroxycyclohexyl)methyl-[[2-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: (1-hydroxycyclohexyl)methyl-[[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: (1-hydroxycyclohexyl)methyl-[2-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(C[NH+]2CCOCC2)O)C[NH2+]CC3(CCCCC3)O

Isomeric SMILES

COC1=CC=CC(=C1OC[C@@H](C[NH+]2CCOCC2)O)C[NH2+]CC3(CCCCC3)O

InChI

InChI=1S/C22H36N2O5/c1-27-20-7-5-6-18(14-23-17-22(26)8-3-2-4-9-22)21(20)29-16-19(25)15-24-10-12-28-13-11-24/h5-7,19,23,25-26H,2-4,8-17H2,1H3/p+2/t19-/m1/s1