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

Systemtic Name: 1-(3-chloranylpropyl)-6,7-dimethoxy-3-methyl-2-(phenylmethyl)isoquinolin-2-ium Openeye Name: 2-benzyl-1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium CAS Name: 1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-2-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 2-benzyl-1-(3-chloropropyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium Traditional Name: 2-benzyl-1-(3-chloropropyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Formula: C22H25ClNO2+ MolecularWeight: 370.8924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3)CCCCl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1CC3=CC=CC=C3)CCCCl)OC)OC

InChI

InChI=1S/C22H25ClNO2/c1-16-12-18-13-21(25-2)22(26-3)14-19(18)20(10-7-11-23)24(16)15-17-8-5-4-6-9-17/h4-6,8-9,12-14H,7,10-11,15H2,1-3H3/q+1