(E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-benzyloxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-benzoxyphenyl)prop-2-en-1-one Formula: C33H33N2O2+ MolecularWeight: 489.62732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O2/c36-32(21-18-27-16-19-31(20-17-27)37-26-28-10-4-1-5-11-28)34-22-24-35(25-23-34)33(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,33H,22-26H2/p+1/b21-18+