(3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-nitrophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-nitrophenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C16H17N4O3+ MolecularWeight: 313.33118

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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-]

Isomeric SMILES

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

InChI

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