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

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: methyl-(2-methylbenzyl)-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C18H20N2O4/c1-13-5-3-4-6-14(13)9-19(2)10-15-7-17(20(21)22)8-16-11-23-12-24-18(15)16/h3-8H,9-12H2,1-2H3/p+1