N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C24H31N3O4/c1-3-30-22-13-18-12-17(2)31-23(18)14-19(22)15-25-24(29)16-26-8-10-27(11-9-26)20-6-4-5-7-21(20)28/h4-7,13-14,17,28H,3,8-12,15-16H2,1-2H3,(H,25,29)/p+1/t17-/m0/s1