1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium iodide

Systemtic Name: 1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium iodide Openeye Name: 3-benzyl-1,2-dimethyl-isoquinolin-2-ium iodide CAS Name: 1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium iodide IUPAC Name: 3-benzyl-1,2-dimethylisoquinolin-2-ium iodide Traditional Name: 3-benzyl-1,2-dimethyl-isoquinolin-2-ium iodide Formula: C18H18IN MolecularWeight: 375.24669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C18H18N.HI/c1-14-18-11-7-6-10-16(18)13-17(19(14)2)12-15-8-4-3-5-9-15;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1