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

Systemtic Name: (E)-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenylprop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-phenyl-prop-2-en-1-one Formula: C20H23N2O+ MolecularWeight: 307.40942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/c23-20(12-11-18-7-3-1-4-8-18)22-15-13-21(14-16-22)17-19-9-5-2-6-10-19/h1-12H,13-17H2/p+1/b12-11+