1-(phenylmethyl)-2-propyl-isoquinolin-2-ium iodide

Systemtic Name: 1-(phenylmethyl)-2-propyl-isoquinolin-2-ium iodide Openeye Name: 1-benzyl-2-propyl-isoquinolin-2-ium iodide CAS Name: 1-(phenylmethyl)-2-propylisoquinolin-2-ium iodide IUPAC Name: 1-benzyl-2-propylisoquinolin-2-ium iodide Traditional Name: 1-benzyl-2-propyl-isoquinolin-2-ium iodide Formula: C19H20IN MolecularWeight: 389.27327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N.HI/c1-2-13-20-14-12-17-10-6-7-11-18(17)19(20)15-16-8-4-3-5-9-16;/h3-12,14H,2,13,15H2,1H3;1H/q+1;/p-1