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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: (2-methoxy-5-methyl-phenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (2-methoxy-5-methylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: (2-methoxy-5-methylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: (2-methoxy-5-methyl-benzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H23N2O5+ MolecularWeight: 359.39632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5/c1-13-4-5-18(24-3)14(6-13)9-20(2)10-15-7-17(21(22)23)8-16-11-25-12-26-19(15)16/h4-8H,9-12H2,1-3H3/p+1