(E)-1-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one chloride

Systemtic Name: (E)-1-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one chloride Openeye Name: (E)-1-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one chloride CAS Name: (E)-1-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one chloride IUPAC Name: (E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one chloride Traditional Name: (E)-1-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one chloride Formula: C22H27ClN2O3 MolecularWeight: 402.91438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)C=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC(COC2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H26N2O3.ClH/c25-20(18-27-21-9-5-2-6-10-21)17-23-13-15-24(16-14-23)22(26)12-11-19-7-3-1-4-8-19;/h1-12,20,25H,13-18H2;1H/b12-11+;