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

Systemtic Name: (E)-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]but-2-enoate Openeye Name: (E)-4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-butenoate IUPAC Name: (E)-4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobut-2-enoate Traditional Name: (E)-4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-but-2-enoate Formula: C15H18N2O3 MolecularWeight: 274.31502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3/c18-14(6-7-15(19)20)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,19,20)/b7-6+