(5-nitrothiophen-2-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (5-nitrothiophen-2-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (5-nitro-2-thienyl)-piperazin-4-ium-1-yl-methanone CAS Name: (5-nitro-2-thiophenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (5-nitrothiophen-2-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (5-nitro-2-thienyl)-piperazin-4-ium-1-yl-methanone Formula: C9H12N3O3S+ MolecularWeight: 242.27488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O3S/c13-9(11-5-3-10-4-6-11)7-1-2-8(16-7)12(14)15/h1-2,10H,3-6H2/p+1