2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium

Systemtic Name: 2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium Openeye Name: 3-benzyl-2-ethyl-1-methyl-isoquinolin-2-ium CAS Name: 2-ethyl-1-methyl-3-(phenylmethyl)isoquinolin-2-ium IUPAC Name: 3-benzyl-2-ethyl-1-methylisoquinolin-2-ium Traditional Name: 3-benzyl-2-ethyl-1-methyl-isoquinolin-2-ium Formula: C19H20N+ MolecularWeight: 262.3688

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C=C1CC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N/c1-3-20-15(2)19-12-8-7-11-17(19)14-18(20)13-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3/q+1