6,7-dimethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(6-nitro-1-indazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H21N4O4+ MolecularWeight: 369.39444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OC

InChI

InChI=1S/C19H20N4O4/c1-26-18-7-13-5-6-21(11-15(13)8-19(18)27-2)12-22-17-9-16(23(24)25)4-3-14(17)10-20-22/h3-4,7-10H,5-6,11-12H2,1-2H3/p+1