2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate

Systemtic Name: 2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Openeye Name: 2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate CAS Name: 2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate IUPAC Name: 2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Traditional Name: 2-nitro-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenolate Formula: C16H16N2O3 MolecularWeight: 284.30984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/c19-16-6-5-12(9-15(16)18(20)21)10-17-8-7-13-3-1-2-4-14(13)11-17/h1-6,9,19H,7-8,10-11H2