4-but-3-ynyl-1-(5-nitropyridin-2-yl)-1-pyridin-2-yl-piperazin-1-ium

Systemtic Name: 4-but-3-ynyl-1-(5-nitropyridin-2-yl)-1-pyridin-2-yl-piperazin-1-ium Openeye Name: 4-but-3-ynyl-1-(5-nitro-2-pyridyl)-1-(2-pyridyl)piperazin-1-ium CAS Name: 4-but-3-ynyl-1-(5-nitro-2-pyridinyl)-1-(2-pyridinyl)piperazin-1-ium IUPAC Name: 4-but-3-ynyl-1-(5-nitropyridin-2-yl)-1-pyridin-2-ylpiperazin-1-ium Traditional Name: 4-but-3-ynyl-1-(5-nitro-2-pyridyl)-1-(2-pyridyl)piperazin-1-ium Formula: C18H20N5O2+ MolecularWeight: 338.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1CC[N+](CC1)(C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C#CCCN1CC[N+](CC1)(C2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C18H20N5O2/c1-2-3-10-21-11-13-23(14-12-21,17-6-4-5-9-19-17)18-8-7-16(15-20-18)22(24)25/h1,4-9,15H,3,10-14H2/q+1