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

Systemtic Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-diethoxy-2-[(6-nitro-1-indazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-diethoxy-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3)OCC

InChI

InChI=1S/C21H24N4O4/c1-3-28-20-9-15-7-8-23(13-17(15)10-21(20)29-4-2)14-24-19-11-18(25(26)27)6-5-16(19)12-22-24/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3/p+1