N-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]benzamide bromide

Systemtic Name: N-[4-(2-isoquinolin-2-ium-2-ylethanoyl)phenyl]benzamide bromide Openeye Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]benzamide bromide CAS Name: N-[4-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]benzamide bromide Traditional Name: N-[4-(2-isoquinolin-2-ium-2-ylacetyl)phenyl]benzamide bromide Formula: C24H19BrN2O2 MolecularWeight: 447.32386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C24H18N2O2.BrH/c27-23(17-26-15-14-18-6-4-5-9-21(18)16-26)19-10-12-22(13-11-19)25-24(28)20-7-2-1-3-8-20;/h1-16H,17H2;1H