5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinolin-8-olate

Systemtic Name: 5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinolin-8-olate Openeye Name: 5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinolin-8-olate CAS Name: 5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-8-quinolinolate IUPAC Name: 5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinolin-8-olate Traditional Name: 5-nitro-7-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)quinolin-8-olate Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=C4C=CC=NC4=C3[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3/c23-19-15(10-17(22(24)25)16-6-3-8-20-18(16)19)12-21-9-7-13-4-1-2-5-14(13)11-21/h1-6,8,10,23H,7,9,11-12H2