(E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(5-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(5-methyl-2-thienyl)prop-2-en-1-one Formula: C21H25N2O2S+ MolecularWeight: 369.5004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H24N2O2S/c1-16-2-4-19(26-16)5-7-21(24)23-11-9-22(10-12-23)15-17-3-6-20-18(14-17)8-13-25-20/h2-7,14H,8-13,15H2,1H3/p+1/b7-5+