(3,4-dichlorophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: (3,4-dichlorophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (3,4-dichlorophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (3,4-dichlorophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (3,4-dichlorophenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (3,4-dichlorobenzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C17H17Cl2N2O4+ MolecularWeight: 384.23388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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