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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-13(14-6-4-3-5-7-14)19(2)10-15-8-17(20(21)22)9-16-11-23-12-24-18(15)16/h3-9,13H,10-12H2,1-2H3/p+1/t13-/m0/s1