1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(5-nitro-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(5-nitro-2-thiophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-nitrothiophen-2-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(5-nitro-2-thienyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C14H18N4O2S+2 MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H16N4O2S/c19-18(20)14-5-4-12(21-14)11-16-7-9-17(10-8-16)13-3-1-2-6-15-13/h1-6H,7-11H2/p+2