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

Systemtic Name: (2,4-dimethylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (2,4-dimethylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (2,4-dimethylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (2,4-dimethylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (2,4-dimethylbenzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H23N2O4+ MolecularWeight: 343.39692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-13-4-5-15(14(2)6-13)9-20(3)10-16-7-18(21(22)23)8-17-11-24-12-25-19(16)17/h4-8H,9-12H2,1-3H3/p+1