1-(3-chloranylpropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium

Systemtic Name: 1-(3-chloranylpropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium Openeye Name: 1-(3-chloropropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium CAS Name: 1-(3-chloropropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methylisoquinolin-2-ium IUPAC Name: 1-(3-chloropropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methylisoquinolin-2-ium Traditional Name: 1-(3-chloropropyl)-6,7-dimethoxy-2-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium Formula: C22H25ClNO3+ MolecularWeight: 386.8918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClNO3/c1-15-12-16-13-21(26-3)22(27-4)14-19(16)20(6-5-11-23)24(15)17-7-9-18(25-2)10-8-17/h7-10,12-14H,5-6,11H2,1-4H3/q+1