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

Systemtic Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: benzyl-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-18(9-13-5-3-2-4-6-13)10-14-7-16(19(20)21)8-15-11-22-12-23-17(14)15/h2-8H,9-12H2,1H3/p+1