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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3N)CCCCl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3N)CCCCl)OC)OC

InChI

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