(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-[(2-chloranyl-5-nitro-phenyl)methyl]-methyl-azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[(2-chloro-5-nitro-phenyl)methyl]-methyl-ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[(2-chloro-5-nitrophenyl)methyl]-methylammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[(2-chloro-5-nitrophenyl)methyl]-methylazanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-chloro-5-nitro-benzyl)-methyl-ammonium Formula: C17H17Cl2N2O4+ MolecularWeight: 384.23388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C17H16Cl2N2O4/c1-20(7-11-6-15(21(22)23)2-3-16(11)19)8-12-4-14(18)5-13-9-24-10-25-17(12)13/h2-6H,7-10H2,1H3/p+1