(4-bromanyl-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (4-bromo-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (4-bromo-3-nitrophenyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (4-bromo-3-nitro-phenyl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C16H16BrN4O3+ MolecularWeight: 392.22724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c17-14-2-1-12(11-15(14)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