1-[(4-chlorophenyl)-pyridin-3-yl-methyl]piperazine trinitrate

Systemtic Name: 1-[(4-chlorophenyl)-pyridin-3-yl-methyl]piperazine trinitrate Openeye Name: 1-[(4-chlorophenyl)-(3-pyridyl)methyl]piperazine trinitrate CAS Name: 1-[(4-chlorophenyl)-(3-pyridinyl)methyl]piperazine trinitrate IUPAC Name: 1-[(4-chlorophenyl)-pyridin-3-ylmethyl]piperazine trinitrate Traditional Name: 1-[(4-chlorophenyl)-(3-pyridyl)methyl]piperazine trinitrate Formula: C16H18ClN6O9-3 MolecularWeight: 473.80192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CN=CC=C3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CN=CC=C3.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C16H18ClN3.3NO3/c17-15-5-3-13(4-6-15)16(14-2-1-7-19-12-14)20-10-8-18-9-11-20;3*2-1(3)4/h1-7,12,16,18H,8-11H2;;;/q;3*-1