[2-ethoxy-5-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]phenyl]methanol

Systemtic Name: [2-ethoxy-5-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]phenyl]methanol Openeye Name: [2-ethoxy-5-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]phenyl]methanol CAS Name: [2-ethoxy-5-[[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl-phenethylamino]methyl]phenyl]methanol IUPAC Name: [2-ethoxy-5-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethylamino]methyl]phenyl]methanol Traditional Name: [2-ethoxy-5-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]phenyl]methanol Formula: C25H37N2O2+ MolecularWeight: 397.57348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C)CO

InChI

InChI=1S/C25H36N2O2/c1-3-29-25-12-11-22(16-24(25)20-28)18-27(15-13-21-8-5-4-6-9-21)19-23-10-7-14-26(2)17-23/h4-6,8-9,11-12,16,23,28H,3,7,10,13-15,17-20H2,1-2H3/p+1/t23-/m0/s1