1-(3-chloranylpropyl)-6,7-dimethoxy-3-methyl-N-phenyl-isoquinolin-2-ium-2-amine

Systemtic Name: 1-(3-chloranylpropyl)-6,7-dimethoxy-3-methyl-N-phenyl-isoquinolin-2-ium-2-amine Openeye Name: 1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-N-phenyl-isoquinolin-2-ium-2-amine CAS Name: 1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-N-phenyl-2-isoquinolin-2-iumamine IUPAC Name: 1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-N-phenylisoquinolin-2-ium-2-amine Traditional Name: [1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-phenyl-amine Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1NC3=CC=CC=C3)CCCCl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1NC3=CC=CC=C3)CCCCl)OC)OC

InChI

InChI=1S/C21H24ClN2O2/c1-15-12-16-13-20(25-2)21(26-3)14-18(16)19(10-7-11-22)24(15)23-17-8-5-4-6-9-17/h4-6,8-9,12-14,23H,7,10-11H2,1-3H3/q+1