3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride

Systemtic Name: 3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride Openeye Name: 3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride CAS Name: 3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride IUPAC Name: 3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride Traditional Name: 3-methyl-1-(4-nitrophenyl)piperazin-4-ium chloride Formula: C11H16ClN3O2 MolecularWeight: 257.71664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1CN(CC[NH2+]1)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C11H15N3O2.ClH/c1-9-8-13(7-6-12-9)10-2-4-11(5-3-10)14(15)16;/h2-5,9,12H,6-8H2,1H3;1H