N-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolin-2-iumyl)methyl]-4,5-dimethoxyphenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[(6,7-dimethoxyisoquinolin-2-ium-1-yl)methyl]-4,5-dimethoxy-phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C25H26N5O7+ MolecularWeight: 508.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2CC3=[NH+]C=CC4=CC(=C(C=C43)OC)OC)OC)OC

InChI

InChI=1S/C25H25N5O7/c1-29-24(19(13-27-29)30(32)33)25(31)28-17-12-23(37-5)21(35-3)10-15(17)8-18-16-11-22(36-4)20(34-2)9-14(16)6-7-26-18/h6-7,9-13H,8H2,1-5H3,(H,28,31)/p+1