2-(2-cyclohexylethyl)-3-methyl-isoquinolin-2-ium bromide

Systemtic Name: 2-(2-cyclohexylethyl)-3-methyl-isoquinolin-2-ium bromide Openeye Name: 2-(2-cyclohexylethyl)-3-methyl-isoquinolin-2-ium bromide CAS Name: 2-(2-cyclohexylethyl)-3-methylisoquinolin-2-ium bromide IUPAC Name: 2-(2-cyclohexylethyl)-3-methylisoquinolin-2-ium bromide Traditional Name: 2-(2-cyclohexylethyl)-3-methyl-isoquinolin-2-ium bromide Formula: C18H24BrN MolecularWeight: 334.29386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=[N+]1CCC3CCCCC3.[Br-]

Isomeric SMILES

CC1=CC2=CC=CC=C2C=[N+]1CCC3CCCCC3.[Br-]

InChI

InChI=1S/C18H24N.BrH/c1-15-13-17-9-5-6-10-18(17)14-19(15)12-11-16-7-3-2-4-8-16;/h5-6,9-10,13-14,16H,2-4,7-8,11-12H2,1H3;1H/q+1;/p-1