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

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-(2-ethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-o-phenetyl-prop-2-en-1-one Formula: C24H29N2O3+ MolecularWeight: 393.49866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H28N2O3/c1-2-28-22-6-4-3-5-20(22)8-10-24(27)26-14-12-25(13-15-26)18-19-7-9-23-21(17-19)11-16-29-23/h3-10,17H,2,11-16,18H2,1H3/p+1/b10-8+