5-[(4-methoxy-2-nitro-3-phenylmethoxy-phenyl)methyl]-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Systemtic Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxy-phenyl)methyl]-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 5-[(3-benzyloxy-4-methoxy-2-nitro-phenyl)methyl]-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-6-methyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 5-(3-benzoxy-4-methoxy-2-nitro-benzyl)-6-methyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C26H23N2O6+ MolecularWeight: 459.47062

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=C(C(=C(C=C4)OC)OCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=CC3=C(C=C2C=C1)OCO3)CC4=C(C(=C(C=C4)OC)OCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N2O6/c1-27-11-10-18-13-23-24(34-16-33-23)14-20(18)21(27)12-19-8-9-22(31-2)26(25(19)28(29)30)32-15-17-6-4-3-5-7-17/h3-11,13-14H,12,15-16H2,1-2H3/q+1