6-methoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide hydrate

Systemtic Name: 6-methoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide hydrate Openeye Name: 1-benzyl-6-methoxy-2-methyl-isoquinolin-2-ium iodide hydrate CAS Name: 6-methoxy-2-methyl-1-(phenylmethyl)isoquinolin-2-ium iodide hydrate IUPAC Name: 1-benzyl-6-methoxy-2-methylisoquinolin-2-ium iodide hydrate Traditional Name: 1-benzyl-6-methoxy-2-methyl-isoquinolin-2-ium iodide hydrate Formula: C18H20INO2 MolecularWeight: 409.26137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO.HI.H2O/c1-19-11-10-15-13-16(20-2)8-9-17(15)18(19)12-14-6-4-3-5-7-14;;/h3-11,13H,12H2,1-2H3;1H;1H2/q+1;;/p-1