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

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]acetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]acetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]acetamide Formula: C23H28ClN4O5+ MolecularWeight: 475.94522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H27ClN4O5/c1-3-32-22-11-16-10-15(2)33-21(16)13-18(22)25-23(29)14-26-6-8-27(9-7-26)19-5-4-17(24)12-20(19)28(30)31/h4-5,11-13,15H,3,6-10,14H2,1-2H3,(H,25,29)/p+1/t15-/m0/s1