1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[(5-nitro-2-thiophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]piperazine-1,4-diium Formula: C10H17N3O2S+2 MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O2S/c1-11-4-6-12(7-5-11)8-9-2-3-10(16-9)13(14)15/h2-3H,4-8H2,1H3/p+2