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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C#CCC[N+]1(CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

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