2-[1-(3-chloranylpropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]phenol

Systemtic Name: 2-[1-(3-chloranylpropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]phenol Openeye Name: 2-[1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]phenol CAS Name: 2-[1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]phenol IUPAC Name: 2-[1-(3-chloropropyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]phenol Traditional Name: 2-[1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]phenol Formula: C21H23ClNO3+ MolecularWeight: 372.86522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3O)CCCCl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3O)CCCCl)OC)OC

InChI

InChI=1S/C21H22ClNO3/c1-14-11-15-12-20(25-2)21(26-3)13-16(15)17(8-6-10-22)23(14)18-7-4-5-9-19(18)24/h4-5,7,9,11-13H,6,8,10H2,1-3H3/p+1