[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Formula: C24H31N2O4+ MolecularWeight: 411.51394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OC

InChI

InChI=1S/C24H30N2O4/c1-3-29-17-21-15-20(5-7-22(21)28-2)24(27)26-11-9-25(10-12-26)16-18-4-6-23-19(14-18)8-13-30-23/h4-7,14-15H,3,8-13,16-17H2,1-2H3/p+1