N-methyl-N-[4-[(2R)-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-methyl-N-[4-[(2R)-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2R)-2-hydroxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]propoxy]phenyl]-N-methyl-acetamide CAS Name: N-[4-[(2R)-2-hydroxy-3-[4-[2-(4-methylphenoxy)ethyl]-1-piperazin-4-iumyl]propoxy]phenyl]-N-methylacetamide IUPAC Name: N-[4-[(2R)-2-hydroxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]propoxy]phenyl]-N-methylacetamide Traditional Name: N-[4-[(2R)-2-hydroxy-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-4-ium-1-yl]propoxy]phenyl]-N-methyl-acetamide Formula: C25H36N3O4+ MolecularWeight: 442.57104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)CC(COC3=CC=C(C=C3)N(C)C(=O)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C[C@H](COC3=CC=C(C=C3)N(C)C(=O)C)O

InChI

InChI=1S/C25H35N3O4/c1-20-4-8-24(9-5-20)31-17-16-27-12-14-28(15-13-27)18-23(30)19-32-25-10-6-22(7-11-25)26(3)21(2)29/h4-11,23,30H,12-19H2,1-3H3/p+1/t23-/m1/s1