1-phenyl-2-[3-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanone

Systemtic Name: 1-phenyl-2-[3-(phenylmethyl)isoquinolin-2-ium-2-yl]ethanone Openeye Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenyl-ethanone CAS Name: 1-phenyl-2-[3-(phenylmethyl)-2-isoquinolin-2-iumyl]ethanone IUPAC Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenylethanone Traditional Name: 2-(3-benzylisoquinolin-2-ium-2-yl)-1-phenyl-ethanone Formula: C24H20NO+ MolecularWeight: 338.4217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=[N+]2CC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C=[N+]2CC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20NO/c26-24(20-11-5-2-6-12-20)18-25-17-22-14-8-7-13-21(22)16-23(25)15-19-9-3-1-4-10-19/h1-14,16-17H,15,18H2/q+1