[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(3-nitropyridin-1-ium-2-yl)piperazino]-phenyl-methanone Formula: C16H17N4O3+ MolecularWeight: 313.33118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3/c21-16(13-5-2-1-3-6-13)19-11-9-18(10-12-19)15-14(20(22)23)7-4-8-17-15/h1-8H,9-12H2/p+1