(4-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (4-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C16H17N4O3+ MolecularWeight: 313.33118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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