methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[2-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]-methyl-ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]methyl]-methylazanium Traditional Name: benzyl-[2-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]benzyl]-methyl-ammonium Formula: C23H34N2O2+2 MolecularWeight: 370.52826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C23H32N2O2/c1-24(16-20-10-4-2-5-11-20)17-21-12-6-7-13-23(21)27-19-22(26)18-25-14-8-3-9-15-25/h2,4-7,10-13,22,26H,3,8-9,14-19H2,1H3/p+2/t22-/m1/s1