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

Systemtic Name: 2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(6-nitro-1-indazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H17N4O2+ MolecularWeight: 309.34248

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C17H16N4O2/c22-21(23)16-6-5-14-10-18-20(17(14)9-16)12-19-8-7-13-3-1-2-4-15(13)11-19/h1-6,9-10H,7-8,11-12H2/p+1