3-methyl-2-phenethyl-isoquinolin-2-ium

Systemtic Name: 3-methyl-2-phenethyl-isoquinolin-2-ium Openeye Name: 3-methyl-2-phenethyl-isoquinolin-2-ium CAS Name: 3-methyl-2-phenethylisoquinolin-2-ium IUPAC Name: 3-methyl-2-phenethylisoquinolin-2-ium Traditional Name: 3-methyl-2-phenethyl-isoquinolin-2-ium Formula: C18H18N+ MolecularWeight: 248.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCC3=CC=CC=C3

InChI

InChI=1S/C18H18N/c1-15-13-17-9-5-6-10-18(17)14-19(15)12-11-16-7-3-2-4-8-16/h2-10,13-14H,11-12H2,1H3/q+1