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

Systemtic Name: [(3R)-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R)-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R)-2-[(6-nitro-1-indazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R)-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R)-2-[(6-nitroindazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]-pyrrolidino-methanone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3C[NH+]2CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3C[NH+]2CN4C5=C(C=CC(=C5)[N+](=O)[O-])C=N4

InChI

InChI=1S/C22H23N5O3/c28-22(24-9-3-4-10-24)21-11-16-5-1-2-6-18(16)14-25(21)15-26-20-12-19(27(29)30)8-7-17(20)13-23-26/h1-2,5-8,12-13,21H,3-4,9-11,14-15H2/p+1/t21-/m1/s1