(E)-3-(5-ethylthiophen-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(5-ethylthiophen-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(5-ethyl-2-thienyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(5-ethyl-2-thiophenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(5-ethylthiophen-2-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(5-ethyl-2-thienyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C=CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CCC1=CC=C(S1)/C=C/C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H25N3OS/c1-3-18-8-9-19(25-18)10-11-20(24)21-16-4-6-17(7-5-16)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24)/p+1/b11-10+