(4-nitro-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-nitro-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-nitro-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-nitro-1H-pyrrol-2-yl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-nitro-1H-pyrrol-2-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-nitro-1H-pyrrol-2-yl)-piperazin-4-ium-1-yl-methanone Formula: C9H13N4O3+ MolecularWeight: 225.22452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC(=CN2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC(=CN2)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O3/c14-9(12-3-1-10-2-4-12)8-5-7(6-11-8)13(15)16/h5-6,10-11H,1-4H2/p+1