1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one chloride

Systemtic Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one chloride Openeye Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one chloride CAS Name: 1-(4-chlorophenyl)-3-(2-isoquinolin-2-iumyl)-1-propanone chloride IUPAC Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-ylpropan-1-one chloride Traditional Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one chloride Formula: C18H15Cl2NO MolecularWeight: 332.2238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CCC(=O)C3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CCC(=O)C3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C18H15ClNO.ClH/c19-17-7-5-15(6-8-17)18(21)10-12-20-11-9-14-3-1-2-4-16(14)13-20;/h1-9,11,13H,10,12H2;1H/q+1;/p-1