2,2-dimethyl-4-(phenylmethoxymethyl)-1H-benzo[f]isoquinolin-3-ium chloride

Systemtic Name: 2,2-dimethyl-4-(phenylmethoxymethyl)-1H-benzo[f]isoquinolin-3-ium chloride Openeye Name: 4-(benzyloxymethyl)-2,2-dimethyl-1H-benzo[f]isoquinolin-3-ium chloride CAS Name: 2,2-dimethyl-4-(phenylmethoxymethyl)-1H-benzo[f]isoquinolin-3-ium chloride IUPAC Name: 2,2-dimethyl-4-(phenylmethoxymethyl)-1H-benzo[f]isoquinolin-3-ium chloride Traditional Name: 4-(benzoxymethyl)-2,2-dimethyl-1H-benz[f]isoquinolin-3-ium chloride Formula: C23H24ClNO MolecularWeight: 365.89576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)COCC4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC1(CC2=C(C=CC3=CC=CC=C23)C(=[NH+]1)COCC4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C23H23NO.ClH/c1-23(2)14-21-19-11-7-6-10-18(19)12-13-20(21)22(24-23)16-25-15-17-8-4-3-5-9-17;/h3-13H,14-16H2,1-2H3;1H