1-methyl-2-[(1R)-1-phenylethyl]-6,8-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 1-methyl-2-[(1R)-1-phenylethyl]-6,8-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 6,8-dibenzyloxy-1-methyl-2-[(1R)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 1-methyl-2-[(1R)-1-phenylethyl]-6,8-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 1-methyl-2-[(1R)-1-phenylethyl]-6,8-bis(phenylmethoxy)-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 6,8-dibenzoxy-1-methyl-2-[(1R)-1-phenylethyl]-3,4-dihydroisoquinolin-2-ium chloride Formula: C32H32ClNO2 MolecularWeight: 498.05498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCC2=CC(=CC(=C12)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(C)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=[N+](CCC2=CC(=CC(=C12)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[C@H](C)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C32H32NO2.ClH/c1-24(28-16-10-5-11-17-28)33-19-18-29-20-30(34-22-26-12-6-3-7-13-26)21-31(32(29)25(33)2)35-23-27-14-8-4-9-15-27;/h3-17,20-21,24H,18-19,22-23H2,1-2H3;1H/q+1;/p-1/t24-;/m1./s1