1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium

Systemtic Name: 1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium Openeye Name: 3-benzyl-1,2-dimethyl-isoquinolin-2-ium CAS Name: 1,2-dimethyl-3-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 3-benzyl-1,2-dimethylisoquinolin-2-ium Traditional Name: 3-benzyl-1,2-dimethyl-isoquinolin-2-ium Formula: C18H18N+ MolecularWeight: 248.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H18N/c1-14-18-11-7-6-10-16(18)13-17(19(14)2)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3/q+1