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

Systemtic Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C20H25N2O4+ MolecularWeight: 357.4235

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-14(2)16-6-4-15(5-7-16)10-21(3)11-17-8-19(22(23)24)9-18-12-25-13-26-20(17)18/h4-9,14H,10-13H2,1-3H3/p+1