(E)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-3-(2-thienyl)acrylamide Formula: C24H26N3OS+ MolecularWeight: 404.54774

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=CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C24H25N3OS/c28-24(13-12-23-7-4-18-29-23)25-21-8-10-22(11-9-21)27-16-14-26(15-17-27)19-20-5-2-1-3-6-20/h1-13,18H,14-17,19H2,(H,25,28)/p+1/b13-12+