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

Systemtic Name: (3-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (3-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (3-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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