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

Systemtic Name: 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(5-nitro-2-thiophenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(5-nitrothiophen-2-yl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(5-nitro-2-thienyl)methyl]-1,4-diazepane-1,4-diium Formula: C11H19N3O2S+2 MolecularWeight: 257.35246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O2S/c1-12-5-2-6-13(8-7-12)9-10-3-4-11(17-10)14(15)16/h3-4H,2,5-9H2,1H3/p+2