2-methyl-1-[(4-nitrophenyl)methyl]isoquinolin-2-ium iodide

Systemtic Name: 2-methyl-1-[(4-nitrophenyl)methyl]isoquinolin-2-ium iodide Openeye Name: 2-methyl-1-[(4-nitrophenyl)methyl]isoquinolin-2-ium iodide CAS Name: 2-methyl-1-[(4-nitrophenyl)methyl]isoquinolin-2-ium iodide IUPAC Name: 2-methyl-1-[(4-nitrophenyl)methyl]isoquinolin-2-ium iodide Traditional Name: 2-methyl-1-(4-nitrobenzyl)isoquinolin-2-ium iodide Formula: C17H15IN2O2 MolecularWeight: 406.21767

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)CC3=CC=C(C=C3)[N+](=O)[O-].[I-]

InChI

InChI=1S/C17H15N2O2.HI/c1-18-11-10-14-4-2-3-5-16(14)17(18)12-13-6-8-15(9-7-13)19(20)21;/h2-11H,12H2,1H3;1H/q+1;/p-1