1-(3-nitrophenyl)-2-[4-[(phenylmethyl)amino]pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[4-[(phenylmethyl)amino]pyridin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[4-[(phenylmethyl)amino]-1-pyridin-1-iumyl]ethanone IUPAC Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[4-(benzylamino)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone Formula: C20H18N3O3+ MolecularWeight: 348.37522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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