N-[2-(phenylmethyl)isoquinolin-2-ium-5-yl]ethanamide chloride

Systemtic Name: N-[2-(phenylmethyl)isoquinolin-2-ium-5-yl]ethanamide chloride Openeye Name: N-(2-benzylisoquinolin-2-ium-5-yl)acetamide chloride CAS Name: N-[2-(phenylmethyl)-5-isoquinolin-2-iumyl]acetamide chloride IUPAC Name: N-(2-benzylisoquinolin-2-ium-5-yl)acetamide chloride Traditional Name: N-(2-benzylisoquinolin-2-ium-5-yl)acetamide chloride Formula: C18H17ClN2O MolecularWeight: 312.79338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C=C[N+](=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C=C[N+](=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H16N2O.ClH/c1-14(21)19-18-9-5-8-16-13-20(11-10-17(16)18)12-15-6-3-2-4-7-15;/h2-11,13H,12H2,1H3;1H