1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide

Systemtic Name: 1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Openeye Name: 7-benzyloxy-1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide CAS Name: 1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide IUPAC Name: 1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium iodide Traditional Name: 7-benzoxy-1-[1-(2-chlorophenyl)cyclopentyl]-6-methoxy-2-methyl-3,4-dihydroisoquinolin-2-ium iodide Formula: C29H31ClINO2 MolecularWeight: 587.91941

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)C4(CCCC4)C5=CC=CC=C5Cl.[I-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OCC3=CC=CC=C3)C4(CCCC4)C5=CC=CC=C5Cl.[I-]

InChI

InChI=1S/C29H31ClNO2.HI/c1-31-17-14-22-18-26(32-2)27(33-20-21-10-4-3-5-11-21)19-23(22)28(31)29(15-8-9-16-29)24-12-6-7-13-25(24)30;/h3-7,10-13,18-19H,8-9,14-17,20H2,1-2H3;1H/q+1;/p-1