(3,5-dinitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3,5-dinitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3,5-dinitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3,5-dinitrophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3,5-dinitrophenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H16N5O5+ MolecularWeight: 358.32874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O5/c22-16(12-9-13(20(23)24)11-14(10-12)21(25)26)19-7-5-18(6-8-19)15-3-1-2-4-17-15/h1-4,9-11H,5-8H2/p+1