1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol chloride IUPAC Name: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-[3-(1-hydroxyethyl)phenoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol chloride Formula: C21H29ClN2O3 MolecularWeight: 392.91956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)O.[Cl-]

Isomeric SMILES

CC(C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3)O)O.[Cl-]

InChI

InChI=1S/C21H28N2O3.ClH/c1-17(24)18-6-5-9-21(14-18)26-16-20(25)15-22-10-12-23(13-11-22)19-7-3-2-4-8-19;/h2-9,14,17,20,24-25H,10-13,15-16H2,1H3;1H