3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Openeye Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzamide CAS Name: 3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]benzamide IUPAC Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]benzamide Traditional Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]benzamide Formula: C17H20N5O3+ MolecularWeight: 342.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3/c18-17(23)14-3-4-15(16(10-14)22(24)25)21-8-6-20(7-9-21)12-13-2-1-5-19-11-13/h1-5,10-11H,6-9,12H2,(H2,18,23)/p+1