4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-carbaldehyde

Systemtic Name: 4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-carbaldehyde Openeye Name: 4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-carbaldehyde CAS Name: 4-(4-nitrophenyl)sulfonyl-1-piperazin-1-iumcarboxaldehyde IUPAC Name: 4-(4-nitrophenyl)sulfonylpiperazin-1-ium-1-carbaldehyde Traditional Name: 4-nosylpiperazin-1-ium-1-carbaldehyde Formula: C11H14N3O5S+ MolecularWeight: 300.31096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C=O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H13N3O5S/c15-9-12-5-7-13(8-6-12)20(18,19)11-3-1-10(2-4-11)14(16)17/h1-4,9H,5-8H2/p+1