(4-chloranyl-2-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-chloranyl-2-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-chloro-2-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (4-chloro-2-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-chloro-2-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-chloro-2-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C16H16ClN4O3+ MolecularWeight: 347.77624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3/c17-12-1-2-14(15(11-12)21(23)24)16(22)20-9-7-19(8-10-20)13-3-5-18-6-4-13/h1-6,11H,7-10H2/p+1