2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide

Systemtic Name: 2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide Openeye Name: 2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide CAS Name: 2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide IUPAC Name: 2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide Traditional Name: 2,2-dimethyl-5-(4-methylphenoxy)-3,4-dihydro-1H-isoquinolin-2-ium iodide Formula: C18H22INO MolecularWeight: 395.27785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC3=C2CC[N+](C3)(C)C.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC3=C2CC[N+](C3)(C)C.[I-]

InChI

InChI=1S/C18H22NO.HI/c1-14-7-9-16(10-8-14)20-18-6-4-5-15-13-19(2,3)12-11-17(15)18;/h4-10H,11-13H2,1-3H3;1H/q+1;/p-1