(6-nitro-1,3-benzodioxol-5-yl)methyl-phenethyl-azanium

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethyl-azanium Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethyl-ammonium CAS Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethylammonium IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethylazanium Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methyl-phenethyl-ammonium Formula: C16H17N2O4+ MolecularWeight: 301.31718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[NH2+]CCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[NH2+]CCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c19-18(20)14-9-16-15(21-11-22-16)8-13(14)10-17-7-6-12-4-2-1-3-5-12/h1-5,8-9,17H,6-7,10-11H2/p+1