[(2R)-3-[2-methoxy-4-[(2-pyridin-4-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-4-[(2-pyridin-4-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[2-(4-pyridyl)ethylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-4-ylethylammonio)methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[(2-pyridin-4-ylethylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[2-(4-pyridyl)ethylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C22H35N3O3+2 MolecularWeight: 389.5316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=NC=C2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=NC=C2)OC)O

InChI

InChI=1S/C22H33N3O3/c1-17(2)25(3)15-20(26)16-28-21-6-5-19(13-22(21)27-4)14-24-12-9-18-7-10-23-11-8-18/h5-8,10-11,13,17,20,24,26H,9,12,14-16H2,1-4H3/p+2/t20-/m1/s1