1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloro-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloro-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-chloro-2-nitro-phenyl)piperazin-1-ium Formula: C19H20Cl2N3O4+ MolecularWeight: 425.2858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C(=CC(=C2)Cl)COCO3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19Cl2N3O4/c20-15-1-2-17(18(9-15)24(25)26)23-5-3-22(4-6-23)10-13-7-16(21)8-14-11-27-12-28-19(13)14/h1-2,7-9H,3-6,10-12H2/p+1