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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-14(2)20(10-15-6-4-3-5-7-15)11-16-8-18(21(22)23)9-17-12-24-13-25-19(16)17/h3-9,14H,10-13H2,1-2H3/p+1