1-[3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C18H21N4O3+ MolecularWeight: 341.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3/c1-14(23)16-2-3-17(18(12-16)22(24)25)21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h2-7,12H,8-11,13H2,1H3/p+1