1-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-ium chloride

Systemtic Name: 1-methyl-4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-ium chloride Openeye Name: 1-methyl-4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-ium chloride CAS Name: 1-methyl-4-[4-nitro-3-(1-piperidinyl)phenyl]piperazin-1-ium chloride IUPAC Name: 1-methyl-4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-ium chloride Traditional Name: 1-methyl-4-(4-nitro-3-piperidino-phenyl)piperazin-1-ium chloride Formula: C16H25ClN4O2 MolecularWeight: 340.8483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3.[Cl-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3.[Cl-]

InChI

InChI=1S/C16H24N4O2.ClH/c1-17-9-11-18(12-10-17)14-5-6-15(20(21)22)16(13-14)19-7-3-2-4-8-19;/h5-6,13H,2-4,7-12H2,1H3;1H