7-ethoxy-2-methyl-1-(2-methylpropyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide

Systemtic Name: 7-ethoxy-2-methyl-1-(2-methylpropyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide Openeye Name: 6-benzyloxy-7-ethoxy-1-isobutyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide CAS Name: 7-ethoxy-2-methyl-1-(2-methylpropyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide IUPAC Name: 7-ethoxy-2-methyl-1-(2-methylpropyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide Traditional Name: 6-benzoxy-7-ethoxy-1-isobutyl-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide Formula: C23H32INO2 MolecularWeight: 481.41015

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CC[NH+](C(C2=C1)CC(C)C)C)OCC3=CC=CC=C3.[I-]

Isomeric SMILES

CCOC1=C(C=C2CC[NH+](C(C2=C1)CC(C)C)C)OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C23H31NO2.HI/c1-5-25-23-15-20-19(11-12-24(4)21(20)13-17(2)3)14-22(23)26-16-18-9-7-6-8-10-18;/h6-10,14-15,17,21H,5,11-13,16H2,1-4H3;1H