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

Systemtic Name: (E)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(p-tolyl)prop-2-en-1-one Formula: C27H29N2O+ MolecularWeight: 397.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O/c1-22-12-14-23(15-13-22)16-17-26(30)28-18-20-29(21-19-28)27(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-17,27H,18-21H2,1H3/p+1/b17-16+