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

Systemtic Name: 4-but-3-ynyl-1-(4-nitrophenyl)-1-pyridin-2-yl-piperazin-1-ium Openeye Name: 4-but-3-ynyl-1-(4-nitrophenyl)-1-(2-pyridyl)piperazin-1-ium CAS Name: 4-but-3-ynyl-1-(4-nitrophenyl)-1-(2-pyridinyl)piperazin-1-ium IUPAC Name: 4-but-3-ynyl-1-(4-nitrophenyl)-1-pyridin-2-ylpiperazin-1-ium Traditional Name: 4-but-3-ynyl-1-(4-nitrophenyl)-1-(2-pyridyl)piperazin-1-ium Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N4O2/c1-2-3-12-21-13-15-23(16-14-21,19-6-4-5-11-20-19)18-9-7-17(8-10-18)22(24)25/h1,4-11H,3,12-16H2/q+1