N-[4-[2-(3-benzamidopyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide

Systemtic Name: N-[4-[2-(3-benzamidopyridin-1-ium-1-yl)ethanoyl]phenyl]benzamide bromide Openeye Name: N-[4-[2-(3-benzamidopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide CAS Name: N-[4-[2-(3-benzamido-1-pyridin-1-iumyl)-1-oxoethyl]phenyl]benzamide bromide IUPAC Name: N-[4-[2-(3-benzamidopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Traditional Name: N-[4-[2-(3-benzamidopyridin-1-ium-1-yl)acetyl]phenyl]benzamide bromide Formula: C27H22BrN3O3 MolecularWeight: 516.38588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C[N+]3=CC=CC(=C3)NC(=O)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H21N3O3.BrH/c31-25(20-13-15-23(16-14-20)28-26(32)21-8-3-1-4-9-21)19-30-17-7-12-24(18-30)29-27(33)22-10-5-2-6-11-22;/h1-18H,19H2,(H-,28,29,31,32,33);1H