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

Systemtic Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxy-phenyl)methyl]-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Openeye Name: 5-[(3-benzyloxy-4-methoxy-2-nitro-phenyl)methyl]-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium CAS Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium IUPAC Name: 5-[(4-methoxy-2-nitro-3-phenylmethoxyphenyl)methyl]-6-propyl-[1,3]dioxolo[4,5-g]isoquinolin-6-ium Traditional Name: 5-(3-benzoxy-4-methoxy-2-nitro-benzyl)-6-propyl-[1,3]dioxol[4,5-g]isoquinolin-6-ium Formula: C28H27N2O6+ MolecularWeight: 487.52378

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Descriptors Computed from Structure

Canonical SMILES:

CCC[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

CCC[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/C28H27N2O6/c1-3-12-29-13-11-20-15-25-26(36-18-35-25)16-22(20)23(29)14-21-9-10-24(33-2)28(27(21)30(31)32)34-17-19-7-5-4-6-8-19/h4-11,13,15-16H,3,12,14,17-18H2,1-2H3/q+1