2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium iodide

Systemtic Name: 2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium iodide Openeye Name: 3-benzyl-2-ethyl-1-methyl-isoquinolin-2-ium iodide CAS Name: 2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium iodide IUPAC Name: 3-benzyl-2-ethyl-1-methylisoquinolin-2-ium iodide Traditional Name: 3-benzyl-2-ethyl-1-methyl-isoquinolin-2-ium iodide Formula: C19H20IN MolecularWeight: 389.27327

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C19H20N.HI/c1-3-20-15(2)19-12-8-7-11-17(19)14-18(20)13-16-9-5-4-6-10-16;/h4-12,14H,3,13H2,1-2H3;1H/q+1;/p-1