3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium

Systemtic Name: 3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium Openeye Name: 3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium CAS Name: 3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium IUPAC Name: 3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium Traditional Name: 3-methyl-1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]phthalazin-3-ium Formula: C17H14N3O4+ MolecularWeight: 324.31076

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C(=N1)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C(=N1)CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C17H14N3O4/c1-19-9-11-4-2-3-5-13(11)14(18-19)6-12-7-16-17(24-10-23-16)8-15(12)20(21)22/h2-5,7-9H,6,10H2,1H3/q+1