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

Systemtic Name: 2-(4-ethanoylpiperazin-1-ium-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]acetamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-4-26-18-10-16-9-14(2)27-19(16)11-17(18)12-21-20(25)13-22-5-7-23(8-6-22)15(3)24/h10-11,14H,4-9,12-13H2,1-3H3,(H,21,25)/p+1/t14-/m0/s1