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

Systemtic Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one Openeye Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one CAS Name: 1-(4-chlorophenyl)-3-(2-isoquinolin-2-iumyl)-1-propanone IUPAC Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-ylpropan-1-one Traditional Name: 1-(4-chlorophenyl)-3-isoquinolin-2-ium-2-yl-propan-1-one Formula: C18H15ClNO+ MolecularWeight: 296.7708

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClNO/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/q+1