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

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: cyclopropyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-p-anisyl-ammonium Formula: C20H23N2O5+ MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4CC4

InChI

InChI=1S/C20H22N2O5/c1-25-19-6-2-14(3-7-19)10-21(17-4-5-17)11-15-8-18(22(23)24)9-16-12-26-13-27-20(15)16/h2-3,6-9,17H,4-5,10-13H2,1H3/p+1