(2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C22H31N2O4+ MolecularWeight: 387.49254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCOCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=CC(=CC=C1)OCCOC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O4/c1-26-21-8-5-9-22(16-21)28-15-14-27-18-20(25)17-23-10-12-24(13-11-23)19-6-3-2-4-7-19/h2-9,16,20,25H,10-15,17-18H2,1H3/p+1/t20-/m0/s1