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

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C20H21ClN3O4+ MolecularWeight: 402.85144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O4/c21-16-2-3-18(24(26)27)17(12-16)20(25)23-8-6-22(7-9-23)13-14-1-4-19-15(11-14)5-10-28-19/h1-4,11-12H,5-10,13H2/p+1