N-(2-isoquinolin-2-ium-2-ylethyl)benzamide bromide

Systemtic Name: N-(2-isoquinolin-2-ium-2-ylethyl)benzamide bromide Openeye Name: N-(2-isoquinolin-2-ium-2-ylethyl)benzamide bromide CAS Name: N-[2-(2-isoquinolin-2-iumyl)ethyl]benzamide bromide IUPAC Name: N-(2-isoquinolin-2-ium-2-ylethyl)benzamide bromide Traditional Name: N-(2-isoquinolin-2-ium-2-ylethyl)benzamide bromide Formula: C18H17BrN2O MolecularWeight: 357.24438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

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