1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1,2,3,6-tetrahydropyridin-1-ium Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H20N2O4/c23-22(24)19-10-17(20-18(11-19)13-25-14-26-20)12-21-8-6-16(7-9-21)15-4-2-1-3-5-15/h1-6,10-11H,7-9,12-14H2/p+1