1-[3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]phenyl]ethanone CAS Name: 1-[3-nitro-4-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]phenyl]ethanone Formula: C19H25N6O3+ MolecularWeight: 385.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N6O3/c1-15(26)16-4-5-17(18(14-16)25(27)28)20-8-3-9-23-10-12-24(13-11-23)19-21-6-2-7-22-19/h2,4-7,14,20H,3,8-13H2,1H3/p+1