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

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

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

Isomeric SMILES

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

InChI

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