[4-(4-nitrophenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride

Systemtic Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Openeye Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride CAS Name: [4-(4-nitrophenyl)-1-piperazin-4-iumyl]-phenylmethanone chloride IUPAC Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-phenylmethanone chloride Traditional Name: [4-(4-nitrophenyl)piperazin-4-ium-1-yl]-phenyl-methanone chloride Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H17N3O3.ClH/c21-17(14-4-2-1-3-5-14)19-12-10-18(11-13-19)15-6-8-16(9-7-15)20(22)23;/h1-9H,10-13H2;1H