2-methyl-6-phenyl-isoquinolin-2-ium iodide

Systemtic Name: 2-methyl-6-phenyl-isoquinolin-2-ium iodide Openeye Name: 2-methyl-6-phenyl-isoquinolin-2-ium iodide CAS Name: 2-methyl-6-phenylisoquinolin-2-ium iodide IUPAC Name: 2-methyl-6-phenylisoquinolin-2-ium iodide Traditional Name: 2-methyl-6-phenyl-isoquinolin-2-ium iodide Formula: C16H14IN MolecularWeight: 347.19353

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H14N.HI/c1-17-10-9-15-11-14(7-8-16(15)12-17)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1