(Z)-4-oxidanylidene-4-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]but-2-enoate

Systemtic Name: (Z)-4-oxidanylidene-4-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]but-2-enoate Openeye Name: (Z)-4-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-4-oxo-but-2-enoate CAS Name: (Z)-4-oxo-4-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]-2-butenoate IUPAC Name: (Z)-4-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-4-oxobut-2-enoate Traditional Name: (Z)-4-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-4-keto-but-2-enoate Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c25-20(10-11-21(26)27)22-18-6-8-19(9-7-18)24-14-12-23(13-15-24)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,22,25)(H,26,27)/b11-10-