N-[2-[(phenylmethyl)amino]phenyl]-2-pyridin-1-ium-1-yl-ethanamide bromide

Systemtic Name: N-[2-[(phenylmethyl)amino]phenyl]-2-pyridin-1-ium-1-yl-ethanamide bromide Openeye Name: N-[2-(benzylamino)phenyl]-2-pyridin-1-ium-1-yl-acetamide bromide CAS Name: N-[2-[(phenylmethyl)amino]phenyl]-2-(1-pyridin-1-iumyl)acetamide bromide IUPAC Name: N-[2-(benzylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide bromide Traditional Name: N-[2-(benzylamino)phenyl]-2-pyridin-1-ium-1-yl-acetamide bromide Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=CC=C2NC(=O)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=CC=C2NC(=O)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H19N3O.BrH/c24-20(16-23-13-7-2-8-14-23)22-19-12-6-5-11-18(19)21-15-17-9-3-1-4-10-17;/h1-14,21H,15-16H2;1H