2-isoquinolin-2-ium-2-yl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-benzyl-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H17N2O+ MolecularWeight: 277.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H16N2O/c21-18(19-12-15-6-2-1-3-7-15)14-20-11-10-16-8-4-5-9-17(16)13-20/h1-11,13H,12,14H2/p+1