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

Systemtic Name: (E)-1-[4-[(2R)-2-oxidanyl-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-[(2R)-2-hydroxy-3-phenoxy-propyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=CC=C2)O)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3/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/p+1/b12-11+/t20-/m1/s1