(E)-3-(2-chlorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-chlorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-chlorophenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-chlorophenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(2-chlorophenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-chlorophenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C18H20ClN2OS+ MolecularWeight: 347.8822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C18H19ClN2OS/c19-17-4-2-1-3-16(17)5-6-18(22)21-10-8-20(9-11-21)13-15-7-12-23-14-15/h1-7,12,14H,8-11,13H2/p+1/b6-5+