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

Systemtic Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-nitropyridin-1-ium-2-yl)piperazino]phenyl]ethanone Formula: C17H19N4O3+ MolecularWeight: 327.35776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3/c1-13(22)14-4-6-15(7-5-14)19-9-11-20(12-10-19)17-16(21(23)24)3-2-8-18-17/h2-8H,9-12H2,1H3/p+1