1-(4-nitrophenyl)-2-[4-[(phenylmethyl)amino]pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[4-[(phenylmethyl)amino]pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[4-[(phenylmethyl)amino]-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C20H18N3O3+ MolecularWeight: 348.37522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3/c24-20(17-6-8-19(9-7-17)23(25)26)15-22-12-10-18(11-13-22)21-14-16-4-2-1-3-5-16/h1-13H,14-15H2/p+1