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

Systemtic Name: 3-methyl-2-phenethyl-isoquinolin-2-ium bromide Openeye Name: 3-methyl-2-phenethyl-isoquinolin-2-ium bromide CAS Name: 3-methyl-2-phenethylisoquinolin-2-ium bromide IUPAC Name: 3-methyl-2-phenethylisoquinolin-2-ium bromide Traditional Name: 3-methyl-2-phenethyl-isoquinolin-2-ium bromide Formula: C18H18BrN MolecularWeight: 328.24622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N.BrH/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;1H/q+1;/p-1