(E)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxo-2-butenoate IUPAC Name: (E)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-(4-benzhydrylpiperazin-4-ium-1-yl)-4-keto-but-2-enoate Formula: C21H22N2O3 MolecularWeight: 350.41098

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=CC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c24-19(11-12-20(25)26)22-13-15-23(16-14-22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,25,26)/b12-11+