2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-nitrobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C16H17N2O2+ MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2/c19-18(20)16-7-3-4-13(10-16)11-17-9-8-14-5-1-2-6-15(14)12-17/h1-7,10H,8-9,11-12H2/p+1